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 Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
COBIMETINIB FUMARATE
(2015)
Small molecule
Dual specificity mitogen-activated protein kinase kinase 1 inhibitor
ORAL
Approved
Melanoma
COBIMETINIB FUMARATE
×
Maximum Phase:
4
First Approval:
2015
UNII:
6EXI96H8SV
Molecule Type:
Small molecule
Molecular Formula:
C46H46F6I2N6O8
Molecular Weight:
1178.7
AlogP:
3.78
PSA:
64.6
HBD:
3.0
HBA:
#RotB:
4.0
Source:
EDOXABAN
(2015)
Small molecule
Unknown
Unknown
Approved
Thrombosis
EDOXABAN
×
Maximum Phase:
4
First Approval:
2015
UNII:
NDU3J18APO
Molecule Type:
Small molecule
Molecular Formula:
C24H30ClN7O4S
Molecular Weight:
548.07
AlogP:
1.29
PSA:
136.63
HBD:
3.0
HBA:
#RotB:
5.0
Source:
ISAVUCONAZONIUM SULFATE
(2015)
Small molecule
Lanosterol 14-alpha demethylase inhibitor
INTRAVENOUS; ORAL
Approved
Aspergillosis; Mucormycosis
ISAVUCONAZONIUM SULFATE
×
Maximum Phase:
4
First Approval:
2015
UNII:
31Q44514JV
Molecule Type:
Small molecule
Molecular Formula:
C35H36F2N8O9S2
Molecular Weight:
814.85
AlogP:
4.58
PSA:
159.37
HBD:
2.0
HBA:
#RotB:
13.0
Source:
CARIPRAZINE
(2015)
Small molecule
Unknown
Unknown
Approved
Psychotic Disorders
CARIPRAZINE
×
Maximum Phase:
4
First Approval:
2015
UNII:
F6RJL8B278
Molecule Type:
Small molecule
Molecular Formula:
C21H32Cl2N4O
Molecular Weight:
427.42
AlogP:
4.34
PSA:
38.82
HBD:
1.0
HBA:
#RotB:
5.0
Source:
CHOLIC ACID
(2015)
Small molecule
Unknown
ORAL
Approved
Liver Diseases; Peroxisomal Disorders
CHOLIC ACID
×
Maximum Phase:
4
First Approval:
2015
UNII:
G1JO7801AE
Molecule Type:
Small molecule
Molecular Formula:
C24H40O5
Molecular Weight:
408.58
AlogP:
3.45
PSA:
97.99
HBD:
4.0
HBA:
#RotB:
4.0
Source:
SELEXIPAG
(2015)
Small molecule
Prostanoid IP receptor agonist
ORAL
Approved
Familial Primary Pulmonary Hypertension; Pulmonary Arterial Hypertension; Thrombosis
SELEXIPAG
×
Maximum Phase:
4
First Approval:
2015
UNII:
5EXC0E384L
Molecule Type:
Small molecule
Molecular Formula:
C26H32N4O4S
Molecular Weight:
496.63
AlogP:
3.9
PSA:
101.49
HBD:
1.0
HBA:
#RotB:
12.0
Source:
OSIMERTINIB
(2015)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
Unknown
Approved
Carcinoma, Non-Small-Cell Lung; Neoplasms
OSIMERTINIB
×
Maximum Phase:
4
First Approval:
2015
UNII:
3C06JJ0Z2O
Molecule Type:
Small molecule
Molecular Formula:
C28H33N7O2
Molecular Weight:
499.62
AlogP:
4.51
PSA:
87.55
HBD:
2.0
HBA:
#RotB:
10.0
Source:
LENVATINIB MESYLATE
(2015)
Small molecule
Vascular endothelial growth factor receptor inhibitor
ORAL
Approved
Carcinoma, Renal Cell; Thyroid Neoplasms
LENVATINIB MESYLATE
×
Maximum Phase:
4
First Approval:
2015
UNII:
3J78384F61
Molecule Type:
Small molecule
Molecular Formula:
C22H23ClN4O7S
Molecular Weight:
522.97
AlogP:
4.07
PSA:
115.57
HBD:
3.0
HBA:
#RotB:
6.0
Source:
LUMACAFTOR
(2015)
Small molecule
Cystic fibrosis transmembrane conductance regulator stabiliser
Unknown
Approved
Cystic Fibrosis
LUMACAFTOR
×
Maximum Phase:
4
First Approval:
2015
UNII:
EGP8L81APK
Molecule Type:
Small molecule
Molecular Formula:
C24H18F2N2O5
Molecular Weight:
452.41
AlogP:
4.75
PSA:
97.75
HBD:
2.0
HBA:
#RotB:
5.0
Source:
LENVATINIB
(2015)
Small molecule
Unknown
Unknown
Approved
Neoplasms; Thyroid Neoplasms
LENVATINIB
×
Maximum Phase:
4
First Approval:
2015
UNII:
EE083865G2
Molecule Type:
Small molecule
Molecular Formula:
C21H19ClN4O4
Molecular Weight:
426.86
AlogP:
4.07
PSA:
115.57
HBD:
3.0
HBA:
#RotB:
6.0
Source:
HELIUM
(2015)
Small molecule
Unknown
INHALATION
Approved
Unknown
HELIUM
×
Maximum Phase:
4
First Approval:
2015
UNII:
206GF3GB41
Molecule Type:
Small molecule
Molecular Formula:
He
Molecular Weight:
4.0
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
PALBOCICLIB
(2015)
Small molecule
CDK6/cyclin D1 inhibitor
ORAL
Approved
Breast Neoplasms; Neoplasms
PALBOCICLIB
×
Maximum Phase:
4
First Approval:
2015
UNII:
G9ZF61LE7G
Molecule Type:
Small molecule
Molecular Formula:
C24H29N7O2
Molecular Weight:
447.54
AlogP:
2.97
PSA:
105.04
HBD:
2.0
HBA:
#RotB:
5.0
Source:
AVIBACTAM SODIUM
(2015)
Small molecule
Bacterial beta-lactamase TEM inhibitor
Unknown
Approved
Intraabdominal Infections; Pyelonephritis; Urinary Tract Infections
AVIBACTAM SODIUM
×
Maximum Phase:
4
First Approval:
2015
UNII:
C8SM6IRW7G
Molecule Type:
Small molecule
Molecular Formula:
C7H10N3NaO6S
Molecular Weight:
287.23
AlogP:
-1.53
PSA:
130.24
HBD:
2.0
HBA:
#RotB:
3.0
Source:
DACLATASVIR
(2015)
Small molecule
Unknown
Unknown
Approved
Virus Diseases
DACLATASVIR
×
Maximum Phase:
4
First Approval:
2015
UNII:
LI2427F9CI
Molecule Type:
Small molecule
Molecular Formula:
C40H50N8O6
Molecular Weight:
738.89
AlogP:
6.22
PSA:
174.64
HBD:
4.0
HBA:
#RotB:
11.0
Source:
ISAVUCONAZONIUM
(2015)
Small molecule
Unknown
Unknown
Approved
Unknown
ISAVUCONAZONIUM
×
Maximum Phase:
4
First Approval:
2015
UNII:
VH2L779W8Q
Molecule Type:
Small molecule
Molecular Formula:
C35H35F2N8O5S+
Molecular Weight:
717.78
AlogP:
4.58
PSA:
159.37
HBD:
2.0
HBA:
#RotB:
13.0
Source:
TRABECTEDIN
(2015)
Small molecule
DNA inhibitor
INTRAVENOUS
Approved
Leiomyosarcoma; Liposarcoma; Neoplasms
TRABECTEDIN
×
Maximum Phase:
4
First Approval:
2015
UNII:
ID0YZQ2TCP
Molecule Type:
Small molecule
Molecular Formula:
C39H43N3O11S
Molecular Weight:
761.85
AlogP:
3.41
PSA:
168.72
HBD:
4.0
HBA:
#RotB:
3.0
Source:
PERINDOPRIL ARGININE
(2015)
Small molecule
Angiotensin-converting enzyme inhibitor
Unknown
Approved
Coronary Artery Disease; Hypertension; Myocardial Infarction
PERINDOPRIL ARGININE
×
Maximum Phase:
4
First Approval:
2015
UNII:
TFT5IM1KGB
Molecule Type:
Small molecule
Molecular Formula:
C25H46N6O7
Molecular Weight:
542.68
AlogP:
1.94
PSA:
95.94
HBD:
2.0
HBA:
#RotB:
8.0
Source:
IXAZOMIB CITRATE
(2015)
Small molecule
26S proteosome inhibitor
ORAL
Approved
Multiple Myeloma; Neoplasms
IXAZOMIB CITRATE
×
Maximum Phase:
4
First Approval:
2015
UNII:
46CWK97Z3K
Molecule Type:
Small molecule
Molecular Formula:
C20H23BCl2N2O9
Molecular Weight:
517.13
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
TIPIRACIL
(2015)
Small molecule
Unknown
Unknown
Approved
Unknown
TIPIRACIL
×
Maximum Phase:
4
First Approval:
2015
UNII:
NGO10K751P
Molecule Type:
Small molecule
Molecular Formula:
C9H11ClN4O2
Molecular Weight:
242.67
AlogP:
1.11
PSA:
93.33
HBD:
3.0
HBA:
#RotB:
2.0
Source:
ROLAPITANT HYDROCHLORIDE
(2015)
Small molecule
Neurokinin 1 receptor antagonist
INTRAVENOUS; ORAL
Approved
Nausea; Postoperative Nausea and Vomiting
ROLAPITANT HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2015
UNII:
57O5S1QSAQ
Molecule Type:
Small molecule
Molecular Formula:
C25H29ClF6N2O3
Molecular Weight:
554.96
AlogP:
5.73
PSA:
50.36
HBD:
2.0
HBA:
#RotB:
5.0
Source:
IVABRADINE HYDROCHLORIDE
(2015)
Small molecule
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 blocker
ORAL
Approved
Heart Failure
IVABRADINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2015
UNII:
TP19837BZK
Molecule Type:
Small molecule
Molecular Formula:
C27H37ClN2O5
Molecular Weight:
505.06
AlogP:
3.31
PSA:
60.47
HBD:
0.0
HBA:
#RotB:
10.0
Source:
CANGRELOR TETRASODIUM
(2015)
Small molecule
Purinergic receptor P2Y12 antagonist
Unknown
Approved
Myocardial Infarction; Thrombosis
CANGRELOR TETRASODIUM
×
Maximum Phase:
4
First Approval:
2015
UNII:
2144G00Y7W
Molecule Type:
Small molecule
Molecular Formula:
C17H21Cl2F3N5Na4O12P3S2
Molecular Weight:
864.29
AlogP:
2.85
PSA:
255.91
HBD:
7.0
HBA:
#RotB:
15.0
Source:
BREXPIPRAZOLE
(2015)
Small molecule
Dopamine D2 receptor partial agonist
ORAL
Approved
Depressive Disorder, Major; Psychotic Disorders; Schizophrenia
BREXPIPRAZOLE
×
Maximum Phase:
4
First Approval:
2015
UNII:
2J3YBM1K8C
Molecule Type:
Small molecule
Molecular Formula:
C25H27N3O2S
Molecular Weight:
433.58
AlogP:
4.72
PSA:
48.57
HBD:
1.0
HBA:
#RotB:
7.0
Source:
FERRIC PYROPHOSPHATE CITRATE
(2015)
Small molecule
Supplement
INTRAVENOUS
Approved
Unknown
FERRIC PYROPHOSPHATE CITRATE
×
Maximum Phase:
4
First Approval:
2015
UNII:
UBY79OCO9G
Molecule Type:
Small molecule
Molecular Formula:
C18H24Fe4O42P6
Molecular Weight:
1321.57
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
NITROGEN
(2015)
Small molecule
Unknown
INHALATION
Approved
Unknown
NITROGEN
×
Maximum Phase:
4
First Approval:
2015
UNII:
N762921K75
Molecule Type:
Small molecule
Molecular Formula:
N2
Molecular Weight:
28.01
AlogP:
0.03
PSA:
47.58
HBD:
0.0
HBA:
#RotB:
0.0
Source:
DEOXYCHOLIC ACID
(2015)
Small molecule
Cell membrane disrupting agent
SUBCUTANEOUS
Approved
Unknown
DEOXYCHOLIC ACID
×
Maximum Phase:
4
First Approval:
2015
UNII:
005990WHZZ
Molecule Type:
Small molecule
Molecular Formula:
C24H40O4
Molecular Weight:
392.58
AlogP:
4.48
PSA:
77.76
HBD:
3.0
HBA:
#RotB:
4.0
Source:
GRAZOPREVIR
(2016)
Small molecule
Hepatitis C virus serine protease, NS3/NS4A inhibitor
Unknown
Approved
Hepatitis C, Chronic; Virus Diseases
GRAZOPREVIR
×
Maximum Phase:
3
First Approval:
2016
UNII:
8YE81R1X1J
Molecule Type:
Small molecule
Molecular Formula:
C38H52N6O10S
Molecular Weight:
784.93
AlogP:
3.3
PSA:
195.22
HBD:
3.0
HBA:
#RotB:
7.0
Source:
BRIVARACETAM
(2016)
Small molecule
Synaptic vesicle glycoprotein 2A modulator
INTRAVENOUS; ORAL
Approved
Epilepsy; Seizures
BRIVARACETAM
×
Maximum Phase:
4
First Approval:
2016
UNII:
U863JGG2IA
Molecule Type:
Small molecule
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.29
AlogP:
0.9
PSA:
63.4
HBD:
1.0
HBA:
#RotB:
5.0
Source:
PIMAVANSERIN TARTRATE
(2016)
Small molecule
Serotonin 2a (5-HT2a) receptor inverse agonist
ORAL
Approved
Hallucinations; Parkinson Disease; Psychotic Disorders
PIMAVANSERIN TARTRATE
×
Maximum Phase:
4
First Approval:
2016
UNII:
NA83F1SJSR
Molecule Type:
Small molecule
Molecular Formula:
C54H74F2N6O10
Molecular Weight:
1005.21
AlogP:
4.67
PSA:
44.81
HBD:
1.0
HBA:
#RotB:
8.0
Source:
FLUCICLOVINE
(2016)
Small molecule
Unknown
Unknown
Approved
Unknown
FLUCICLOVINE
×
Maximum Phase:
4
First Approval:
2016
UNII:
YKG0YF688X
Molecule Type:
Small molecule
Molecular Formula:
C6H10FNO2
Molecular Weight:
147.15
AlogP:
0.29
PSA:
63.32
HBD:
2.0
HBA:
#RotB:
1.0
Source:
RUCAPARIB CAMSYLATE
(2016)
Small molecule
PARP 1, 2 and 3 inhibitor
ORAL
Approved
Ovarian Neoplasms
RUCAPARIB CAMSYLATE
×
Maximum Phase:
4
First Approval:
2016
UNII:
41AX9SJ8KO
Molecule Type:
Small molecule
Molecular Formula:
C29H34FN3O5S
Molecular Weight:
555.67
AlogP:
2.98
PSA:
56.92
HBD:
3.0
HBA:
#RotB:
3.0
Source:
VELPATASVIR
(2016)
Small molecule
Nonstructural protein 5A inhibitor
Unknown
Approved
Hepatitis C, Chronic
VELPATASVIR
×
Maximum Phase:
4
First Approval:
2016
UNII:
KCU0C7RS7Z
Molecule Type:
Small molecule
Molecular Formula:
C49H54N8O8
Molecular Weight:
883.02
AlogP:
7.73
PSA:
193.1
HBD:
4.0
HBA:
#RotB:
11.0
Source:
BARIUM SULFATE
(2016)
Small molecule
Diagnostic agent
ORAL
Approved
Unknown
BARIUM SULFATE
×
Maximum Phase:
4
First Approval:
2016
UNII:
25BB7EKE2E
Molecule Type:
Small molecule
Molecular Formula:
BaO4S
Molecular Weight:
233.39
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
VENETOCLAX
(2016)
Small molecule
Apoptosis regulator Bcl-2 inhibitor
ORAL
Approved
Leukemia, Lymphocytic, Chronic, B-Cell; Neoplasms
VENETOCLAX
×
Maximum Phase:
4
First Approval:
2016
UNII:
N54AIC43PW
Molecule Type:
Small molecule
Molecular Formula:
C45H50ClN7O7S
Molecular Weight:
868.46
AlogP:
8.66
PSA:
172.03
HBD:
3.0
HBA:
#RotB:
13.0
Source:
EPHEDRINE
(2016)
Small molecule
Unknown
Unknown
Approved
Cardiovascular Diseases; Nasal Obstruction; Obesity
EPHEDRINE
×
Maximum Phase:
4
First Approval:
2016
UNII:
GN83C131XS
Molecule Type:
Small molecule
Molecular Formula:
C10H15NO
Molecular Weight:
165.24
AlogP:
1.33
PSA:
32.26
HBD:
2.0
HBA:
#RotB:
3.0
Source:
TETRACAINE HYDROCHLORIDE
(2016)
Small molecule
Sodium channel alpha subunit blocker
OPHTHALMIC
Approved
Anesthesia
TETRACAINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2016
UNII:
5NF5D4OPCI
Molecule Type:
Small molecule
Molecular Formula:
C15H25ClN2O2
Molecular Weight:
300.83
AlogP:
2.62
PSA:
41.57
HBD:
1.0
HBA:
#RotB:
8.0
Source:
1
2
…
65
66
67
68
69
70
71
…
221
222
Next »
Download Option
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA