Chemical
Browse
Active Pharmaceutical Ingredients
Bioactive chemicals
Agrochemicals
Search
Chemical Structure
Explore
Chemical Similarity
Transformation
Browse
Prodrugs
Drug Metabolites
Metabolite Datasets
Cytochrome P450
Homo sapiens »
CYP1
CYP2
CYP3
CYP4
CYP5
CYP7
CYP8
CYP11
CYP17
CYP19
CYP20
CYP21
CYP24
CYP26
CYP27
CYP39
CYP46
CYP51
Mus musculus
Danio rerio
Oncorhynchus mykiss
Comparison of CYPs
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
FAQ
Contact Us
Versions
Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
FINGOLIMOD HYDROCHLORIDE
(2010)
Small molecule
Sphingosine 1-phosphate receptor agonist
ORAL
Approved
Multiple Sclerosis
FINGOLIMOD HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2010
UNII:
G926EC510T
Molecule Type:
Small molecule
Molecular Formula:
C19H34ClNO2
Molecular Weight:
343.94
AlogP:
3.2
PSA:
66.48
HBD:
3.0
HBA:
#RotB:
12.0
Source:
POLIDOCANOL
(2010)
Small molecule
Unknown
INTRAVENOUS
Approved
Telangiectasis; Varicose Veins
POLIDOCANOL
×
Maximum Phase:
4
First Approval:
2010
UNII:
0AWH8BFG9A
Molecule Type:
Small molecule
Molecular Formula:
C30H62O10
Molecular Weight:
582.82
AlogP:
4.05
PSA:
103.3
HBD:
1.0
HBA:
#RotB:
37.0
Source:
BOSUTINIB
(2010)
Small molecule
Bcr/Abl fusion protein
Unknown
Approved
Leukemia, Myelogenous, Chronic, BCR-ABL Positive; Neoplasms
BOSUTINIB
×
Maximum Phase:
4
First Approval:
2010
UNII:
5018V4AEZ0
Molecule Type:
Small molecule
Molecular Formula:
C26H29Cl2N5O3
Molecular Weight:
530.46
AlogP:
5.19
PSA:
82.88
HBD:
1.0
HBA:
#RotB:
9.0
Source:
HEXAMINOLEVULINATE HYDROCHLORIDE
(2010)
Small molecule
Unknown
INTRAVESICAL
Approved
Carcinoma
HEXAMINOLEVULINATE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2010
UNII:
D4F329SL1O
Molecule Type:
Small molecule
Molecular Formula:
C11H22ClNO3
Molecular Weight:
251.75
AlogP:
1.42
PSA:
69.39
HBD:
1.0
HBA:
#RotB:
9.0
Source:
ALCAFTADINE
(2010)
Small molecule
Histamine H1 receptor antagonist
OPHTHALMIC
Approved
Conjunctivitis, Allergic; Eye Manifestations
ALCAFTADINE
×
Maximum Phase:
4
First Approval:
2010
UNII:
7Z8O94ECSX
Molecule Type:
Small molecule
Molecular Formula:
C19H21N3O
Molecular Weight:
307.4
AlogP:
2.78
PSA:
38.13
HBD:
0.0
HBA:
#RotB:
1.0
Source:
SPINOSAD
(2011)
Small molecule
Nicotinic acetylcholine receptor agonist
TOPICAL
Approved
Lice Infestations
SPINOSAD
×
Maximum Phase:
4
First Approval:
2011
UNII:
XPA88EAP6V
Molecule Type:
Small molecule
Molecular Formula:
C83H132N2O20
Molecular Weight:
1477.96
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
RIVAROXABAN
(2011)
Small molecule
Coagulation factor X inhibitor
ORAL
Approved
Atrial Fibrillation; Pulmonary Embolism; Thrombosis; Venous Thrombosis
RIVAROXABAN
×
Maximum Phase:
4
First Approval:
2011
UNII:
9NDF7JZ4M3
Molecule Type:
Small molecule
Molecular Formula:
C19H18ClN3O5S
Molecular Weight:
435.89
AlogP:
2.52
PSA:
88.18
HBD:
1.0
HBA:
#RotB:
5.0
Source:
CANAGLIFLOZIN
(2011)
Small molecule
Sodium/glucose cotransporter 2 inhibitor
ORAL
Approved
Diabetes Mellitus; Diabetes Mellitus, Type 2
CANAGLIFLOZIN
×
Maximum Phase:
4
First Approval:
2011
UNII:
0SAC974Z85
Molecule Type:
Small molecule
Molecular Formula:
C24H27FO6S
Molecular Weight:
462.54
AlogP:
2.97
PSA:
90.15
HBD:
4.0
HBA:
#RotB:
5.0
Source:
ABIRATERONE ACETATE
(2011)
Small molecule
Cytochrome P450 17A1 inhibitor
ORAL
Approved
Neoplasms; Prostatic Neoplasms
ABIRATERONE ACETATE
×
Maximum Phase:
4
First Approval:
2011
UNII:
EM5OCB9YJ6
Molecule Type:
Small molecule
Molecular Formula:
C26H33NO2
Molecular Weight:
391.56
AlogP:
5.97
PSA:
39.19
HBD:
0.0
HBA:
#RotB:
2.0
Source:
FIDAXOMICIN
(2011)
Small molecule
DNA-directed RNA polymerase inhibitor
ORAL
Approved
Diarrhea; Infections
FIDAXOMICIN
×
Maximum Phase:
4
First Approval:
2011
UNII:
Z5N076G8YQ
Molecule Type:
Small molecule
Molecular Formula:
C52H74Cl2O18
Molecular Weight:
1058.05
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
IOFLUPANE
(2011)
Small molecule
Unknown
Unknown
Approved
Unknown
IOFLUPANE
×
Maximum Phase:
4
First Approval:
2011
UNII:
VF232WE742
Molecule Type:
Small molecule
Molecular Formula:
C18H23FINO2
Molecular Weight:
431.29
AlogP:
3.76
PSA:
29.54
HBD:
0.0
HBA:
#RotB:
5.0
Source:
TICAGRELOR
(2011)
Small molecule
Purinergic receptor P2Y12 negative allosteric modulator
ORAL
Approved
Acute Coronary Syndrome; Coronary Artery Disease; Diabetes Mellitus, Type 2; Myocardial Infarction; Stroke; Thrombosis
TICAGRELOR
×
Maximum Phase:
4
First Approval:
2011
UNII:
GLH0314RVC
Molecule Type:
Small molecule
Molecular Formula:
C23H28F2N6O4S
Molecular Weight:
522.58
AlogP:
2.01
PSA:
138.44
HBD:
4.0
HBA:
#RotB:
10.0
Source:
INDACATEROL
(2011)
Small molecule
Unknown
Unknown
Approved
Lung Diseases, Obstructive
INDACATEROL
×
Maximum Phase:
4
First Approval:
2011
UNII:
8OR09251MQ
Molecule Type:
Small molecule
Molecular Formula:
C24H28N2O3
Molecular Weight:
392.5
AlogP:
3.15
PSA:
85.35
HBD:
4.0
HBA:
#RotB:
6.0
Source:
WATER
(2011)
Small molecule
Unknown
Unknown
Approved
Multiple Sclerosis; Short Bowel Syndrome
WATER
×
Maximum Phase:
4
First Approval:
2011
UNII:
059QF0KO0R
Molecule Type:
Small molecule
Molecular Formula:
H2O
Molecular Weight:
18.02
AlogP:
-0.82
PSA:
31.5
HBD:
0.0
HBA:
#RotB:
0.0
Source:
GABAPENTIN ENACARBIL
(2011)
Small molecule
Voltage-gated calcium channel modulator
ORAL
Approved
Epilepsy; Neuralgia, Postherpetic; Restless Legs Syndrome
GABAPENTIN ENACARBIL
×
Maximum Phase:
4
First Approval:
2011
UNII:
75OCL1SPBQ
Molecule Type:
Small molecule
Molecular Formula:
C16H27NO6
Molecular Weight:
329.39
AlogP:
2.68
PSA:
101.93
HBD:
2.0
HBA:
#RotB:
7.0
Source:
VANDETANIB
(2011)
Small molecule
Ephrin receptor inhibitor
ORAL
Approved
Carcinoma, Medullary; Neoplasms; Thyroid Neoplasms
VANDETANIB
×
Maximum Phase:
4
First Approval:
2011
UNII:
YO460OQ37K
Molecule Type:
Small molecule
Molecular Formula:
C22H24BrFN4O2
Molecular Weight:
475.36
AlogP:
5.0
PSA:
59.51
HBD:
1.0
HBA:
#RotB:
6.0
Source:
CRIZOTINIB
(2011)
Small molecule
ALK tyrosine kinase receptor inhibitor
ORAL
Approved
Carcinoma, Non-Small-Cell Lung; Lymphoma, Large B-Cell, Diffuse; Neoplasms
CRIZOTINIB
×
Maximum Phase:
4
First Approval:
2011
UNII:
53AH36668S
Molecule Type:
Small molecule
Molecular Formula:
C21H22Cl2FN5O
Molecular Weight:
450.35
AlogP:
5.04
PSA:
77.99
HBD:
2.0
HBA:
#RotB:
5.0
Source:
AZILSARTAN KAMEDOXOMIL
(2011)
Small molecule
Type-1 angiotensin II receptor antagonist
ORAL
Approved
Hypertension; Stroke
AZILSARTAN KAMEDOXOMIL
×
Maximum Phase:
4
First Approval:
2011
UNII:
WEC6I2K1FC
Molecule Type:
Small molecule
Molecular Formula:
C30H23KN4O8
Molecular Weight:
606.63
AlogP:
4.71
PSA:
155.59
HBD:
1.0
HBA:
#RotB:
9.0
Source:
GADOBUTROL
(2011)
Small molecule
Diagnostic agent
INTRAVENOUS
Approved
Unknown
GADOBUTROL
×
Maximum Phase:
4
First Approval:
2011
UNII:
1BJ477IO2L
Molecule Type:
Small molecule
Molecular Formula:
C18H31GdN4O9
Molecular Weight:
604.72
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
BOCEPREVIR
(2011)
Small molecule
Hepatitis C virus serine protease, NS3/NS4A inhibitor
ORAL
Approved
Hepatitis C, Chronic; Virus Diseases
BOCEPREVIR
×
Maximum Phase:
4
First Approval:
2011
UNII:
89BT58KELH
Molecule Type:
Small molecule
Molecular Formula:
C27H45N5O5
Molecular Weight:
519.69
AlogP:
1.71
PSA:
150.7
HBD:
4.0
HBA:
#RotB:
8.0
Source:
AVANAFIL
(2011)
Small molecule
Phosphodiesterase 5A inhibitor
ORAL
Approved
Erectile Dysfunction
AVANAFIL
×
Maximum Phase:
4
First Approval:
2011
UNII:
DR5S136IVO
Molecule Type:
Small molecule
Molecular Formula:
C23H26ClN7O3
Molecular Weight:
483.96
AlogP:
1.85
PSA:
128.62
HBD:
3.0
HBA:
#RotB:
8.0
Source:
LINAGLIPTIN
(2011)
Small molecule
Dipeptidyl peptidase IV inhibitor
ORAL
Approved
Diabetes Mellitus; Diabetes Mellitus, Type 2
LINAGLIPTIN
×
Maximum Phase:
4
First Approval:
2011
UNII:
3X29ZEJ4R2
Molecule Type:
Small molecule
Molecular Formula:
C25H28N8O2
Molecular Weight:
472.55
AlogP:
1.15
PSA:
116.86
HBD:
1.0
HBA:
#RotB:
4.0
Source:
INDACATEROL MALEATE
(2011)
Small molecule
Beta-2 adrenergic receptor agonist
INHALATION
Approved
Bronchitis, Chronic; Emphysema; Pulmonary Disease, Chronic Obstructive
INDACATEROL MALEATE
×
Maximum Phase:
4
First Approval:
2011
UNII:
2JEC1ITX7R
Molecule Type:
Small molecule
Molecular Formula:
C28H32N2O7
Molecular Weight:
508.57
AlogP:
3.15
PSA:
85.35
HBD:
4.0
HBA:
#RotB:
6.0
Source:
ROFLUMILAST
(2011)
Small molecule
Phosphodiesterase 4 inhibitor
Unknown
Approved
Bronchitis, Chronic; Lung Diseases, Obstructive; Pulmonary Disease, Chronic Obstructive
ROFLUMILAST
×
Maximum Phase:
4
First Approval:
2011
UNII:
0P6C6ZOP5U
Molecule Type:
Small molecule
Molecular Formula:
C17H14Cl2F2N2O3
Molecular Weight:
403.21
AlogP:
5.03
PSA:
60.45
HBD:
1.0
HBA:
#RotB:
7.0
Source:
RILPIVIRINE
(2011)
Small molecule
Human immunodeficiency virus type 1 reverse transcriptase inhibitor
ORAL
Approved
HIV Infections; Virus Diseases
RILPIVIRINE
×
Maximum Phase:
4
First Approval:
2011
UNII:
FI96A8X663
Molecule Type:
Small molecule
Molecular Formula:
C22H18N6
Molecular Weight:
366.43
AlogP:
4.99
PSA:
97.42
HBD:
2.0
HBA:
#RotB:
5.0
Source:
VILAZODONE HYDROCHLORIDE
(2011)
Small molecule
Serotonin 1a (5-HT1a) receptor partial agonist
ORAL
Approved
Depressive Disorder, Major
VILAZODONE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2011
UNII:
U8HTX2GK8J
Molecule Type:
Small molecule
Molecular Formula:
C26H28ClN5O2
Molecular Weight:
478.0
AlogP:
4.03
PSA:
102.29
HBD:
2.0
HBA:
#RotB:
7.0
Source:
RILPIVIRINE HYDROCHLORIDE
(2011)
Small molecule
Human immunodeficiency virus type 1 reverse transcriptase inhibitor
ORAL
Approved
HIV Infections
RILPIVIRINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2011
UNII:
212WAX8KDD
Molecule Type:
Small molecule
Molecular Formula:
C22H19ClN6
Molecular Weight:
402.89
AlogP:
4.99
PSA:
97.42
HBD:
2.0
HBA:
#RotB:
5.0
Source:
RUXOLITINIB PHOSPHATE
(2011)
Small molecule
Tyrosine-protein kinase JAK1 inhibitor
ORAL
Approved
Polycythemia Vera; Primary Myelofibrosis
RUXOLITINIB PHOSPHATE
×
Maximum Phase:
4
First Approval:
2011
UNII:
436LRU32H5
Molecule Type:
Small molecule
Molecular Formula:
C17H21N6O4P
Molecular Weight:
404.37
AlogP:
3.47
PSA:
83.18
HBD:
1.0
HBA:
#RotB:
4.0
Source:
SODIUM NITRITE
(2011)
Small molecule
Unknown
INTRAVENOUS
Approved
Poisoning
SODIUM NITRITE
×
Maximum Phase:
4
First Approval:
2011
UNII:
M0KG633D4F
Molecule Type:
Small molecule
Molecular Formula:
NNaO2
Molecular Weight:
69.0
AlogP:
0.14
PSA:
49.66
HBD:
1.0
HBA:
#RotB:
0.0
Source:
VEMURAFENIB
(2011)
Small molecule
Serine/threonine-protein kinase B-raf inhibitor
ORAL
Approved
Melanoma; Neoplasms
VEMURAFENIB
×
Maximum Phase:
4
First Approval:
2011
UNII:
207SMY3FQT
Molecule Type:
Small molecule
Molecular Formula:
C23H18ClF2N3O3S
Molecular Weight:
489.93
AlogP:
5.54
PSA:
91.92
HBD:
2.0
HBA:
#RotB:
7.0
Source:
VILAZODONE
(2011)
Small molecule
Unknown
Unknown
Approved
Depressive Disorder
VILAZODONE
×
Maximum Phase:
4
First Approval:
2011
UNII:
S239O2OOV3
Molecule Type:
Small molecule
Molecular Formula:
C26H27N5O2
Molecular Weight:
441.54
AlogP:
4.03
PSA:
102.29
HBD:
2.0
HBA:
#RotB:
7.0
Source:
AZILSARTAN MEDOXOMIL
(2011)
Small molecule
Unknown
Unknown
Approved
Cardiovascular Diseases
AZILSARTAN MEDOXOMIL
×
Maximum Phase:
4
First Approval:
2011
UNII:
LL0G25K7I2
Molecule Type:
Small molecule
Molecular Formula:
C30H24N4O8
Molecular Weight:
568.54
AlogP:
4.71
PSA:
155.59
HBD:
1.0
HBA:
#RotB:
9.0
Source:
PIRFENIDONE
(2011)
Small molecule
Unknown
ORAL
Approved
Idiopathic Pulmonary Fibrosis; Immune System Diseases
PIRFENIDONE
×
Maximum Phase:
4
First Approval:
2011
UNII:
D7NLD2JX7U
Molecule Type:
Small molecule
Molecular Formula:
C12H11NO
Molecular Weight:
185.23
AlogP:
2.15
PSA:
22.0
HBD:
0.0
HBA:
#RotB:
1.0
Source:
IOFLUPANE I 123
(2011)
Small molecule
Diagnostic agent
Unknown
Approved
Multiple System Atrophy; Parkinsonian Disorders
IOFLUPANE I 123
×
Maximum Phase:
4
First Approval:
2011
UNII:
3MM99T8R5Q
Molecule Type:
Small molecule
Molecular Formula:
C18H23FINO2
Molecular Weight:
427.29
AlogP:
3.76
PSA:
29.54
HBD:
0.0
HBA:
#RotB:
5.0
Source:
EZOGABINE
(2011)
Small molecule
KCNQ (Kv7) potassium channel opener
ORAL
Approved
Epilepsy; Seizures
EZOGABINE
×
Maximum Phase:
4
First Approval:
2011
UNII:
12G01I6BBU
Molecule Type:
Small molecule
Molecular Formula:
C16H18FN3O2
Molecular Weight:
303.34
AlogP:
3.59
PSA:
76.38
HBD:
3.0
HBA:
#RotB:
5.0
Source:
NITROUS ACID
(2011)
Small molecule
Unknown
Unknown
Approved
Unknown
NITROUS ACID
×
Maximum Phase:
4
First Approval:
2011
UNII:
T2I5UM75DN
Molecule Type:
Small molecule
Molecular Formula:
HNO2
Molecular Weight:
47.01
AlogP:
0.14
PSA:
49.66
HBD:
1.0
HBA:
#RotB:
0.0
Source:
1
2
…
60
61
62
63
64
65
66
…
221
222
Next »
Download Option
Header
Compound Name
Maximum Phase
Compound Structure
Smile
Inchi
InchiKey
Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA