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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
RUXOLITINIB
(2011)
Small molecule
Unknown
Unknown
Approved
Neoplasms
RUXOLITINIB
×
Maximum Phase:
4
First Approval:
2011
UNII:
82S8X8XX8H
Molecule Type:
Small molecule
Molecular Formula:
C17H18N6
Molecular Weight:
306.37
AlogP:
3.47
PSA:
83.18
HBD:
1.0
HBA:
#RotB:
4.0
Source:
CABOZANTINIB
(2012)
Small molecule
Unknown
Unknown
Approved
Neoplasms
CABOZANTINIB
×
Maximum Phase:
4
First Approval:
2012
UNII:
1C39JW444G
Molecule Type:
Small molecule
Molecular Formula:
C28H24FN3O5
Molecular Weight:
501.51
AlogP:
5.54
PSA:
98.78
HBD:
2.0
HBA:
#RotB:
8.0
Source:
IBUPROFEN SODIUM
(2012)
Small molecule
Cyclooxygenase inhibitor
ORAL
Approved
Unknown
IBUPROFEN SODIUM
×
Maximum Phase:
4
First Approval:
2012
UNII:
RM1CE97Z4N
Molecule Type:
Small molecule
Molecular Formula:
C13H21NaO4
Molecular Weight:
264.3
AlogP:
3.07
PSA:
37.3
HBD:
1.0
HBA:
#RotB:
4.0
Source:
ENZALUTAMIDE
(2012)
Small molecule
Androgen Receptor antagonist
ORAL
Approved
Neoplasms; Prostatic Neoplasms
ENZALUTAMIDE
×
Maximum Phase:
4
First Approval:
2012
UNII:
93T0T9GKNU
Molecule Type:
Small molecule
Molecular Formula:
C21H16F4N4O2S
Molecular Weight:
464.44
AlogP:
3.99
PSA:
76.44
HBD:
1.0
HBA:
#RotB:
3.0
Source:
BEDAQUILINE
(2012)
Small molecule
Unknown
Unknown
Approved
Tuberculosis
BEDAQUILINE
×
Maximum Phase:
4
First Approval:
2012
UNII:
78846I289Y
Molecule Type:
Small molecule
Molecular Formula:
C32H31BrN2O2
Molecular Weight:
555.52
AlogP:
7.13
PSA:
45.59
HBD:
1.0
HBA:
#RotB:
8.0
Source:
TOFACITINIB CITRATE
(2012)
Small molecule
Janus Kinase (JAK) inhibitor
ORAL
Approved
Arthritis, Psoriatic; Arthritis, Rheumatoid
TOFACITINIB CITRATE
×
Maximum Phase:
4
First Approval:
2012
UNII:
O1FF4DIV0D
Molecule Type:
Small molecule
Molecular Formula:
C22H28N6O8
Molecular Weight:
504.5
AlogP:
1.54
PSA:
88.91
HBD:
1.0
HBA:
#RotB:
3.0
Source:
ELVITEGRAVIR
(2012)
Small molecule
Human immunodeficiency virus type 1 integrase inhibitor
ORAL
Approved
HIV Infections; Virus Diseases
ELVITEGRAVIR
×
Maximum Phase:
4
First Approval:
2012
UNII:
4GDQ854U53
Molecule Type:
Small molecule
Molecular Formula:
C23H23ClFNO5
Molecular Weight:
447.89
AlogP:
4.28
PSA:
88.76
HBD:
2.0
HBA:
#RotB:
7.0
Source:
CYSTEAMINE HYDROCHLORIDE
(2012)
Small molecule
Cystine reducing agent
OPHTHALMIC
Approved
Cystinosis
CYSTEAMINE HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2012
UNII:
IF1B771SVB
Molecule Type:
Small molecule
Molecular Formula:
C2H8ClNS
Molecular Weight:
113.61
AlogP:
-0.13
PSA:
26.02
HBD:
2.0
HBA:
#RotB:
1.0
Source:
PICOSULFURIC ACID
(2012)
Small molecule
Unknown
Unknown
Approved
Unknown
PICOSULFURIC ACID
×
Maximum Phase:
4
First Approval:
2012
UNII:
95D580798S
Molecule Type:
Small molecule
Molecular Formula:
C18H15NO8S2
Molecular Weight:
437.45
AlogP:
2.63
PSA:
140.09
HBD:
2.0
HBA:
#RotB:
7.0
Source:
FLORBETAPIR
(2012)
Small molecule
Unknown
Unknown
Approved
Unknown
FLORBETAPIR
×
Maximum Phase:
4
First Approval:
2012
UNII:
6867Q6IKOD
Molecule Type:
Small molecule
Molecular Formula:
C20H25FN2O3
Molecular Weight:
360.43
AlogP:
3.68
PSA:
52.61
HBD:
1.0
HBA:
#RotB:
12.0
Source:
AXITINIB
(2012)
Small molecule
Vascular endothelial growth factor receptor inhibitor
ORAL
Approved
Carcinoma, Renal Cell; Neoplasms
AXITINIB
×
Maximum Phase:
4
First Approval:
2012
UNII:
C9LVQ0YUXG
Molecule Type:
Small molecule
Molecular Formula:
C22H18N4OS
Molecular Weight:
386.48
AlogP:
4.64
PSA:
70.67
HBD:
2.0
HBA:
#RotB:
5.0
Source:
SODIUM PICOSULFATE
(2012)
Small molecule
Stimulant laxative
Unknown
Approved
Constipation
SODIUM PICOSULFATE
×
Maximum Phase:
4
First Approval:
2012
UNII:
VW106606Y8
Molecule Type:
Small molecule
Molecular Formula:
C18H13NNa2O8S2
Molecular Weight:
481.42
AlogP:
2.63
PSA:
140.09
HBD:
2.0
HBA:
#RotB:
7.0
Source:
PONATINIB
(2012)
Small molecule
Unknown
Unknown
Approved
Neoplasms
PONATINIB
×
Maximum Phase:
4
First Approval:
2012
UNII:
4340891KFS
Molecule Type:
Small molecule
Molecular Formula:
C29H27F3N6O
Molecular Weight:
532.57
AlogP:
4.46
PSA:
65.77
HBD:
1.0
HBA:
#RotB:
4.0
Source:
COBICISTAT
(2012)
Small molecule
Cytochrome P450 3A inhibitor
ORAL
Approved
HIV Infections; Infections
COBICISTAT
×
Maximum Phase:
4
First Approval:
2012
UNII:
LW2E03M5PG
Molecule Type:
Small molecule
Molecular Formula:
C40H53N7O5S2
Molecular Weight:
776.04
AlogP:
6.0
PSA:
138.02
HBD:
3.0
HBA:
#RotB:
19.0
Source:
BEDAQUILINE FUMARATE
(2012)
Small molecule
ATP synthase inhibitor
ORAL
Approved
Tuberculosis
BEDAQUILINE FUMARATE
×
Maximum Phase:
4
First Approval:
2012
UNII:
P04QX2C1A5
Molecule Type:
Small molecule
Molecular Formula:
C36H35BrN2O6
Molecular Weight:
671.59
AlogP:
7.13
PSA:
45.59
HBD:
1.0
HBA:
#RotB:
8.0
Source:
CHOLINE CHLORIDE
(2012)
Small molecule
Unknown
Unknown
Approved
Unknown
CHOLINE CHLORIDE
×
Maximum Phase:
4
First Approval:
2012
UNII:
45I14D8O27
Molecule Type:
Small molecule
Molecular Formula:
C5H14ClNO
Molecular Weight:
139.63
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
APIXABAN
(2012)
Small molecule
Coagulation factor X inhibitor
Unknown
Approved
Atrial Fibrillation; Embolism; Pulmonary Embolism; Stroke; Thrombosis; Venous Thrombosis
APIXABAN
×
Maximum Phase:
4
First Approval:
2012
UNII:
3Z9Y7UWC1J
Molecule Type:
Small molecule
Molecular Formula:
C25H25N5O4
Molecular Weight:
459.51
AlogP:
2.7
PSA:
110.76
HBD:
1.0
HBA:
#RotB:
5.0
Source:
ACLIDINIUM
(2012)
Small molecule
Unknown
Unknown
Approved
Unknown
ACLIDINIUM
×
Maximum Phase:
4
First Approval:
2012
UNII:
K17VY42F6C
Molecule Type:
Small molecule
Molecular Formula:
C26H30NO4S2+
Molecular Weight:
484.66
AlogP:
4.67
PSA:
55.76
HBD:
1.0
HBA:
#RotB:
9.0
Source:
ICOSAPENT ETHYL
(2012)
Small molecule
Unknown
ORAL
Approved
Hypertriglyceridemia; Pancreatitis
ICOSAPENT ETHYL
×
Maximum Phase:
4
First Approval:
2012
UNII:
6GC8A4PAYH
Molecule Type:
Small molecule
Molecular Formula:
C22H34O2
Molecular Weight:
330.51
AlogP:
6.47
PSA:
26.3
HBD:
0.0
HBA:
#RotB:
14.0
Source:
ACLIDINIUM BROMIDE
(2012)
Small molecule
Muscarinic acetylcholine receptor M3 antagonist
INHALATION
Approved
Bronchial Spasm; Bronchitis, Chronic; Emphysema; Lung Diseases, Obstructive; Pulmonary Disease, Chronic Obstructive
ACLIDINIUM BROMIDE
×
Maximum Phase:
4
First Approval:
2012
UNII:
UQW7UF9N91
Molecule Type:
Small molecule
Molecular Formula:
C26H30BrNO4S2
Molecular Weight:
564.57
AlogP:
4.67
PSA:
55.76
HBD:
1.0
HBA:
#RotB:
9.0
Source:
TERIFLUNOMIDE
(2012)
Small molecule
Dihydroorotate dehydrogenase inhibitor
ORAL
Approved
Immune System Diseases; Multiple Sclerosis
TERIFLUNOMIDE
×
Maximum Phase:
4
First Approval:
2012
UNII:
1C058IKG3B
Molecule Type:
Small molecule
Molecular Formula:
C12H9F3N2O2
Molecular Weight:
270.21
AlogP:
3.0
PSA:
73.12
HBD:
2.0
HBA:
#RotB:
2.0
Source:
PONATINIB HYDROCHLORIDE
(2012)
Small molecule
Bcr/Abl fusion protein inhibitor
ORAL
Approved
Leukemia, Myelogenous, Chronic, BCR-ABL Positive; Precursor Cell Lymphoblastic Leukemia-Lymphoma
PONATINIB HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2012
UNII:
96R6PU3D8J
Molecule Type:
Small molecule
Molecular Formula:
C29H28ClF3N6O
Molecular Weight:
569.03
AlogP:
4.46
PSA:
65.77
HBD:
1.0
HBA:
#RotB:
4.0
Source:
CABOZANTINIB S-MALATE
(2012)
Small molecule
Hepatocyte growth factor receptor inhibitor
ORAL
Approved
Carcinoma, Renal Cell; Thyroid Neoplasms
CABOZANTINIB S-MALATE
×
Maximum Phase:
4
First Approval:
2012
UNII:
DR7ST46X58
Molecule Type:
Small molecule
Molecular Formula:
C32H30FN3O10
Molecular Weight:
635.6
AlogP:
5.54
PSA:
98.78
HBD:
2.0
HBA:
#RotB:
8.0
Source:
TOFACITINIB
(2012)
Small molecule
Unknown
ORAL
Approved
Immune System Diseases
TOFACITINIB
×
Maximum Phase:
4
First Approval:
2012
UNII:
87LA6FU830
Molecule Type:
Small molecule
Molecular Formula:
C16H20N6O
Molecular Weight:
312.38
AlogP:
1.54
PSA:
88.91
HBD:
1.0
HBA:
#RotB:
3.0
Source:
LOMITAPIDE MESYLATE
(2012)
Small molecule
Microsomal triglyceride transfer protein inhibitor
ORAL
Approved
Hypercholesterolemia; Hyperlipoproteinemia Type II
LOMITAPIDE MESYLATE
×
Maximum Phase:
4
First Approval:
2012
UNII:
X4S83CP54E
Molecule Type:
Small molecule
Molecular Formula:
C40H41F6N3O5S
Molecular Weight:
789.84
AlogP:
8.38
PSA:
61.44
HBD:
2.0
HBA:
#RotB:
10.0
Source:
TAFLUPROST
(2012)
Small molecule
Prostanoid FP receptor agonist
OPHTHALMIC
Approved
Glaucoma; Glaucoma, Open-Angle; Ocular Hypertension
TAFLUPROST
×
Maximum Phase:
4
First Approval:
2012
UNII:
1O6WQ6T7G3
Molecule Type:
Small molecule
Molecular Formula:
C25H34F2O5
Molecular Weight:
452.54
AlogP:
4.68
PSA:
75.99
HBD:
2.0
HBA:
#RotB:
12.0
Source:
PERAMPANEL
(2012)
Small molecule
Glutamate receptor ionotropic AMPA antagonist
ORAL
Approved
Epilepsy; Seizures
PERAMPANEL
×
Maximum Phase:
4
First Approval:
2012
UNII:
H821664NPK
Molecule Type:
Small molecule
Molecular Formula:
C23H15N3O
Molecular Weight:
349.39
AlogP:
4.44
PSA:
58.68
HBD:
0.0
HBA:
#RotB:
3.0
Source:
IVACAFTOR
(2012)
Small molecule
Cystic fibrosis transmembrane conductance regulator positive modulator
ORAL
Approved
Cystic Fibrosis; Respiratory Tract Diseases
IVACAFTOR
×
Maximum Phase:
4
First Approval:
2012
UNII:
1Y740ILL1Z
Molecule Type:
Small molecule
Molecular Formula:
C24H28N2O3
Molecular Weight:
392.5
AlogP:
5.08
PSA:
82.19
HBD:
3.0
HBA:
#RotB:
2.0
Source:
MIRABEGRON
(2012)
Small molecule
Beta-3 adrenergic receptor agonist
ORAL
Approved
Polyuria; Urinary Bladder, Overactive; Urinary Incontinence; Urinary Incontinence, Urge
MIRABEGRON
×
Maximum Phase:
4
First Approval:
2012
UNII:
MVR3JL3B2V
Molecule Type:
Small molecule
Molecular Formula:
C21H24N4O2S
Molecular Weight:
396.52
AlogP:
2.77
PSA:
100.27
HBD:
4.0
HBA:
#RotB:
9.0
Source:
LORCASERIN HYDROCHLORIDE
(2012)
Small molecule
Serotonin 2c (5-HT2c) receptor agonist
ORAL
Approved
Unknown
LORCASERIN HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2012
UNII:
0QJF08GDPE
Molecule Type:
Small molecule
Molecular Formula:
C11H15Cl2N
Molecular Weight:
232.15
AlogP:
2.59
PSA:
12.03
HBD:
1.0
HBA:
#RotB:
0.0
Source:
CROFELEMER
(2012)
Small molecule
Anoctamin-1 blocker
ORAL
Approved
Unknown
CROFELEMER
×
Maximum Phase:
4
First Approval:
2012
UNII:
PY79D6C8RX
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
VISMODEGIB
(2012)
Small molecule
Smoothened homolog inhibitor
ORAL
Approved
Carcinoma, Basal Cell; Neoplasms
VISMODEGIB
×
Maximum Phase:
4
First Approval:
2012
UNII:
25X868M3DS
Molecule Type:
Small molecule
Molecular Formula:
C19H14Cl2N2O3S
Molecular Weight:
421.31
AlogP:
4.71
PSA:
76.13
HBD:
1.0
HBA:
#RotB:
4.0
Source:
CHOLINE C-11
(2012)
Small molecule
Diagnostic agent
INTRAVENOUS
Approved
Prostatic Neoplasms
CHOLINE C-11
×
Maximum Phase:
4
First Approval:
2012
UNII:
381E0BTR5Q
Molecule Type:
Small molecule
Molecular Formula:
C5H14ClNO
Molecular Weight:
138.63
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
LOMITAPIDE
(2012)
Small molecule
Unknown
Unknown
Approved
Cardiovascular Diseases
LOMITAPIDE
×
Maximum Phase:
4
First Approval:
2012
UNII:
82KUB0583F
Molecule Type:
Small molecule
Molecular Formula:
C39H37F6N3O2
Molecular Weight:
693.73
AlogP:
8.38
PSA:
61.44
HBD:
2.0
HBA:
#RotB:
10.0
Source:
LORCASERIN
(2012)
Small molecule
Unknown
Unknown
Approved
Obesity
LORCASERIN
×
Maximum Phase:
4
First Approval:
2012
UNII:
637E494O0Z
Molecule Type:
Small molecule
Molecular Formula:
C11H14ClN
Molecular Weight:
195.69
AlogP:
2.59
PSA:
12.03
HBD:
1.0
HBA:
#RotB:
0.0
Source:
FLORBETAPIR F 18
(2012)
Small molecule
Diagnostic agent
Unknown
Approved
Alzheimer Disease; Cognitive Dysfunction
FLORBETAPIR F 18
×
Maximum Phase:
4
First Approval:
2012
UNII:
6W15Z5R0RU
Molecule Type:
Small molecule
Molecular Formula:
C20H25FN2O3
Molecular Weight:
359.43
AlogP:
3.68
PSA:
52.61
HBD:
1.0
HBA:
#RotB:
12.0
Source:
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PSA