Chemical
Browse
Active Pharmaceutical Ingredients
Bioactive chemicals
Agrochemicals
Search
Chemical Structure
Explore
Chemical Similarity
Transformation
Browse
Prodrugs
Drug Metabolites
Metabolite Datasets
Biochemical Action
Browse
Target Level (ChEMBL)
Level 1
Level 2
Level 3
Level 4
Level 5
Level 6
Mechanism of action
Search
Mechanism of action
BLAST against human drug target
BLAST against selected species (UniProt)
Exposure
Browse
Monitoring data
Downloads
Web services
Bulk downloads
About
About EcoDrug+
Citing
Data Sources
Contact Us
Versions and log file
Display option:
Number of compounds
Number of rings
Number of aromatic rings
Number of amide bonds
Number of hetero atoms
Number of heavy atoms
Number of rotatable bonds
Number of Atoms
Ascending
Descending
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
MCS mapping to Human Metabolites
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
4
Generate Knowledge Graph
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Bioactive chemicals
View Clustered Compounds
Chemical clusters of APIs
MCS mapping to all APIs
MCS mapping to Agrochemicals
Download Clustered APIs
Close
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA
1
2
3
4
5
6
7
8
…
14
15
Next »