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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
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:
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:
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:
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:
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:
6S49DGR869
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:
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:
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:
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:
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:
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:
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:
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:
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:
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:
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:
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:
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Compound Name
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Molecular Formula
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PSA