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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
REGORAFENIB
(2012)
Small molecule
Discoidin domain-containing receptor 2 inhibitor
ORAL
Approved
Colorectal Neoplasms; Neoplasms
REGORAFENIB
×
Maximum Phase:
4
First Approval:
2012
UNII:
24T2A1DOYB
Molecule Type:
Small molecule
Molecular Formula:
C21H15ClF4N4O3
Molecular Weight:
482.82
AlogP:
5.69
PSA:
92.35
HBD:
3.0
HBA:
#RotB:
5.0
Source:
POMALIDOMIDE
(2013)
Small molecule
CRL4(CRBN) E3 ubiquitin ligase inhibitor
ORAL
Approved
Immune System Diseases; Multiple Myeloma
POMALIDOMIDE
×
Maximum Phase:
4
First Approval:
2013
UNII:
D2UX06XLB5
Molecule Type:
Small molecule
Molecular Formula:
C13H11N3O4
Molecular Weight:
273.25
AlogP:
-0.33
PSA:
109.57
HBD:
2.0
HBA:
#RotB:
1.0
Source:
VORTIOXETINE
(2013)
Small molecule
Unknown
ORAL
Approved
Depressive Disorder
VORTIOXETINE
×
Maximum Phase:
4
First Approval:
2013
UNII:
3O2K1S3WQV
Molecule Type:
Small molecule
Molecular Formula:
C18H22N2S
Molecular Weight:
298.46
AlogP:
3.86
PSA:
15.27
HBD:
1.0
HBA:
#RotB:
3.0
Source:
VILANTEROL
(2013)
Small molecule
Unknown
Unknown
Approved
Unknown
VILANTEROL
×
Maximum Phase:
4
First Approval:
2013
UNII:
028LZY775B
Molecule Type:
Small molecule
Molecular Formula:
C24H33Cl2NO5
Molecular Weight:
486.44
AlogP:
4.61
PSA:
91.18
HBD:
4.0
HBA:
#RotB:
16.0
Source:
TRAMETINIB DIMETHYL SULFOXIDE
(2013)
Small molecule
Dual specificity mitogen-activated protein kinase kinase 1 inhibitor
Unknown
Approved
Lung Neoplasms; Melanoma; Thyroid Neoplasms
TRAMETINIB DIMETHYL SULFOXIDE
×
Maximum Phase:
4
First Approval:
2013
UNII:
BSB9VJ5TUT
Molecule Type:
Small molecule
Molecular Formula:
C28H29FIN5O5S
Molecular Weight:
693.54
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
AFATINIB DIMALEATE
(2013)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
ORAL
Approved
Carcinoma, Non-Small-Cell Lung
AFATINIB DIMALEATE
×
Maximum Phase:
4
First Approval:
2013
UNII:
V1T5K7RZ0B
Molecule Type:
Small molecule
Molecular Formula:
C32H33ClFN5O11
Molecular Weight:
718.09
AlogP:
4.39
PSA:
88.61
HBD:
2.0
HBA:
#RotB:
8.0
Source:
ESOMEPRAZOLE STRONTIUM
(2013)
Small molecule
Potassium-transporting ATPase inhibitor
ORAL
Approved
Duodenal Ulcer; Gastroesophageal Reflux; Stomach Ulcer; Zollinger-Ellison Syndrome
ESOMEPRAZOLE STRONTIUM
×
Maximum Phase:
4
First Approval:
2013
UNII:
C5N25H3803
Molecule Type:
Small molecule
Molecular Formula:
C34H44N6O10S2Sr
Molecular Weight:
848.51
AlogP:
2.9
PSA:
77.1
HBD:
1.0
HBA:
#RotB:
5.0
Source:
VORTIOXETINE HYDROBROMIDE
(2013)
Small molecule
Serotonin 1a (5-HT1a) receptor agonist
ORAL
Approved
Depressive Disorder, Major
VORTIOXETINE HYDROBROMIDE
×
Maximum Phase:
4
First Approval:
2013
UNII:
TKS641KOAY
Molecule Type:
Small molecule
Molecular Formula:
C18H23BrN2S
Molecular Weight:
379.37
AlogP:
3.86
PSA:
15.27
HBD:
1.0
HBA:
#RotB:
3.0
Source:
SIMEPREVIR SODIUM
(2013)
Small molecule
Hepatitis C virus serine protease, NS3/NS4A inhibitor
ORAL
Approved
Unknown
SIMEPREVIR SODIUM
×
Maximum Phase:
4
First Approval:
2013
UNII:
16U7H60184
Molecule Type:
Small molecule
Molecular Formula:
C38H46N5NaO7S2
Molecular Weight:
771.94
AlogP:
5.25
PSA:
156.89
HBD:
2.0
HBA:
#RotB:
8.0
Source:
SOFOSBUVIR
(2013)
Small molecule
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor
ORAL
Approved
Hepatitis C; Hepatitis C, Chronic; Virus Diseases
SOFOSBUVIR
×
Maximum Phase:
4
First Approval:
2013
UNII:
WJ6CA3ZU8B
Molecule Type:
Small molecule
Molecular Formula:
C22H29FN3O9P
Molecular Weight:
529.46
AlogP:
1.66
PSA:
158.18
HBD:
3.0
HBA:
#RotB:
10.0
Source:
LULICONAZOLE
(2013)
Small molecule
Cytochrome P450 51 inhibitor
TOPICAL
Approved
Tinea; Tinea Pedis
LULICONAZOLE
×
Maximum Phase:
4
First Approval:
2013
UNII:
RE91AN4S8G
Molecule Type:
Small molecule
Molecular Formula:
C14H9Cl2N3S2
Molecular Weight:
354.29
AlogP:
5.06
PSA:
41.61
HBD:
0.0
HBA:
#RotB:
2.0
Source:
NEOSTIGMINE
(2013)
Small molecule
Unknown
Unknown
Approved
Glaucoma
NEOSTIGMINE
×
Maximum Phase:
4
First Approval:
2013
UNII:
3982TWQ96G
Molecule Type:
Small molecule
Molecular Formula:
C12H19N2O2+
Molecular Weight:
223.3
AlogP:
1.94
PSA:
29.54
HBD:
0.0
HBA:
#RotB:
2.0
Source:
FLUTEMETAMOL F 18
(2013)
Small molecule
Diagnostic agent
Unknown
Approved
Alzheimer Disease; Cognitive Dysfunction
FLUTEMETAMOL F 18
×
Maximum Phase:
4
First Approval:
2013
UNII:
L49M066S0O
Molecule Type:
Small molecule
Molecular Formula:
C14H11FN2OS
Molecular Weight:
273.32
AlogP:
3.85
PSA:
45.15
HBD:
2.0
HBA:
#RotB:
2.0
Source:
RADIUM DICHLORIDE
(2013)
Small molecule
Unknown
Unknown
Approved
Unknown
RADIUM DICHLORIDE
×
Maximum Phase:
4
First Approval:
2013
UNII:
KKO873WR2Z
Molecule Type:
Small molecule
Molecular Formula:
Cl2Ra
Molecular Weight:
296.91
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
VILANTEROL TRIFENATATE
(2013)
Small molecule
Beta-2 adrenergic receptor agonist
Unknown
Approved
Asthma; Bronchitis, Chronic; Emphysema; Pulmonary Disease, Chronic Obstructive
VILANTEROL TRIFENATATE
×
Maximum Phase:
4
First Approval:
2013
UNII:
40AHO2C6DG
Molecule Type:
Small molecule
Molecular Formula:
C44H49Cl2NO7
Molecular Weight:
774.78
AlogP:
4.61
PSA:
91.18
HBD:
4.0
HBA:
#RotB:
16.0
Source:
RIOCIGUAT
(2013)
Small molecule
Soluble guanylate cyclase positive allosteric modulator
ORAL
Approved
Familial Primary Pulmonary Hypertension; Hypertension; Hypertension, Pulmonary
RIOCIGUAT
×
Maximum Phase:
4
First Approval:
2013
UNII:
RU3FE2Y4XI
Molecule Type:
Small molecule
Molecular Formula:
C20H19FN8O2
Molecular Weight:
422.42
AlogP:
2.44
PSA:
138.07
HBD:
2.0
HBA:
#RotB:
4.0
Source:
UMECLIDINIUM
(2013)
Small molecule
Unknown
Unknown
Approved
Unknown
UMECLIDINIUM
×
Maximum Phase:
4
First Approval:
2013
UNII:
GE2T1418SV
Molecule Type:
Small molecule
Molecular Formula:
C29H34NO2+
Molecular Weight:
428.6
AlogP:
5.14
PSA:
29.46
HBD:
1.0
HBA:
#RotB:
8.0
Source:
ALOGLIPTIN BENZOATE
(2013)
Small molecule
Dipeptidyl peptidase IV inhibitor
ORAL
Approved
Diabetes Mellitus, Type 2
ALOGLIPTIN BENZOATE
×
Maximum Phase:
4
First Approval:
2013
UNII:
EEN99869SC
Molecule Type:
Small molecule
Molecular Formula:
C25H27N5O4
Molecular Weight:
461.52
AlogP:
0.39
PSA:
97.05
HBD:
1.0
HBA:
#RotB:
3.0
Source:
DIMETHYL FUMARATE
(2013)
Small molecule
Kelch-like ECH-associated protein 1 inhibitor
ORAL
Approved
Immune System Diseases; Multiple Sclerosis
DIMETHYL FUMARATE
×
Maximum Phase:
4
First Approval:
2013
UNII:
FO2303MNI2
Molecule Type:
Small molecule
Molecular Formula:
C6H8O4
Molecular Weight:
144.13
AlogP:
-0.11
PSA:
52.6
HBD:
0.0
HBA:
#RotB:
2.0
Source:
SIMEPREVIR
(2013)
Small molecule
Unknown
Unknown
Approved
Hepatitis C, Chronic; Virus Diseases
SIMEPREVIR
×
Maximum Phase:
4
First Approval:
2013
UNII:
9WS5RD66HZ
Molecule Type:
Small molecule
Molecular Formula:
C38H47N5O7S2
Molecular Weight:
749.96
AlogP:
5.25
PSA:
156.89
HBD:
2.0
HBA:
#RotB:
8.0
Source:
DOLUTEGRAVIR SODIUM
(2013)
Small molecule
Human immunodeficiency virus type 1 integrase inhibitor
ORAL
Approved
HIV Infections
DOLUTEGRAVIR SODIUM
×
Maximum Phase:
4
First Approval:
2013
UNII:
1Q1V9V5WYQ
Molecule Type:
Small molecule
Molecular Formula:
C20H18F2N3NaO5
Molecular Weight:
441.37
AlogP:
1.35
PSA:
100.87
HBD:
2.0
HBA:
#RotB:
3.0
Source:
FLUTEMETAMOL
(2013)
Small molecule
Unknown
Unknown
Approved
Unknown
FLUTEMETAMOL
×
Maximum Phase:
4
First Approval:
2013
UNII:
0F3M7032P5
Molecule Type:
Small molecule
Molecular Formula:
C14H11FN2OS
Molecular Weight:
274.32
AlogP:
3.85
PSA:
45.15
HBD:
2.0
HBA:
#RotB:
2.0
Source:
LEVOMILNACIPRAN
(2013)
Small molecule
Unknown
Unknown
Approved
Depressive Disorder
LEVOMILNACIPRAN
×
Maximum Phase:
4
First Approval:
2013
UNII:
UGM0326TXX
Molecule Type:
Small molecule
Molecular Formula:
C15H22N2O
Molecular Weight:
246.35
AlogP:
1.77
PSA:
46.33
HBD:
1.0
HBA:
#RotB:
5.0
Source:
GLYCEROL PHENYLBUTYRATE
(2013)
Small molecule
Glutamine sequestering agent
ORAL
Approved
Urea Cycle Disorders, Inborn
GLYCEROL PHENYLBUTYRATE
×
Maximum Phase:
4
First Approval:
2013
UNII:
ZH6F1VCV7B
Molecule Type:
Small molecule
Molecular Formula:
C33H38O6
Molecular Weight:
530.66
AlogP:
6.05
PSA:
78.9
HBD:
0.0
HBA:
#RotB:
17.0
Source:
DABRAFENIB
(2013)
Small molecule
Unknown
Unknown
Approved
Neoplasms
DABRAFENIB
×
Maximum Phase:
4
First Approval:
2013
UNII:
QGP4HA4G1B
Molecule Type:
Small molecule
Molecular Formula:
C23H20F3N5O2S2
Molecular Weight:
519.57
AlogP:
5.36
PSA:
110.86
HBD:
2.0
HBA:
#RotB:
5.0
Source:
AFATINIB
(2013)
Small molecule
Unknown
Unknown
Approved
Neoplasms
AFATINIB
×
Maximum Phase:
4
First Approval:
2013
UNII:
41UD74L59M
Molecule Type:
Small molecule
Molecular Formula:
C24H25ClFN5O3
Molecular Weight:
485.95
AlogP:
4.39
PSA:
88.61
HBD:
2.0
HBA:
#RotB:
8.0
Source:
UMECLIDINIUM BROMIDE
(2013)
Small molecule
Muscarinic acetylcholine receptor M3 antagonist
INHALATION
Approved
Bronchitis, Chronic; Emphysema; Lung Diseases, Obstructive; Pulmonary Disease, Chronic Obstructive
UMECLIDINIUM BROMIDE
×
Maximum Phase:
4
First Approval:
2013
UNII:
7AN603V4JV
Molecule Type:
Small molecule
Molecular Formula:
C29H34BrNO2
Molecular Weight:
508.5
AlogP:
5.14
PSA:
29.46
HBD:
1.0
HBA:
#RotB:
8.0
Source:
TREPROSTINIL DIOLAMINE
(2013)
Small molecule
Prostanoid IP receptor agonist
ORAL
Approved
Unknown
TREPROSTINIL DIOLAMINE
×
Maximum Phase:
4
First Approval:
2013
UNII:
H1FKG90039
Molecule Type:
Small molecule
Molecular Formula:
C27H45NO7
Molecular Weight:
495.66
AlogP:
3.58
PSA:
86.99
HBD:
3.0
HBA:
#RotB:
10.0
Source:
DESVENLAFAXINE FUMARATE
(2013)
Small molecule
Norepinephrine transporter inhibitor
ORAL
Approved
Depressive Disorder, Major
DESVENLAFAXINE FUMARATE
×
Maximum Phase:
4
First Approval:
2013
UNII:
R5JHD7L72A
Molecule Type:
Small molecule
Molecular Formula:
C20H31NO7
Molecular Weight:
397.47
AlogP:
2.73
PSA:
43.7
HBD:
2.0
HBA:
#RotB:
4.0
Source:
OLIVE OIL
(2013)
Small molecule
Unknown
Unknown
Approved
Unknown
OLIVE OIL
×
Maximum Phase:
4
First Approval:
2013
UNII:
6UYK2W1W1E
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
RADIUM RA 223 DICHLORIDE
(2013)
Small molecule
Radiotherapy agent
Unknown
Approved
Neoplasm Metastasis; Prostatic Neoplasms
RADIUM RA 223 DICHLORIDE
×
Maximum Phase:
4
First Approval:
2013
UNII:
RJ00KV3VTG
Molecule Type:
Small molecule
Molecular Formula:
Cl2Ra
Molecular Weight:
293.92
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
DABRAFENIB MESYLATE
(2013)
Small molecule
Serine/threonine-protein kinase B-raf inhibitor
ORAL
Approved
Melanoma; Thyroid Neoplasms
DABRAFENIB MESYLATE
×
Maximum Phase:
4
First Approval:
2013
UNII:
B6DC89I63E
Molecule Type:
Small molecule
Molecular Formula:
C24H24F3N5O5S3
Molecular Weight:
615.68
AlogP:
5.36
PSA:
110.86
HBD:
2.0
HBA:
#RotB:
5.0
Source:
ALOGLIPTIN
(2013)
Small molecule
Unknown
Unknown
Approved
Diabetes Mellitus
ALOGLIPTIN
×
Maximum Phase:
4
First Approval:
2013
UNII:
JHC049LO86
Molecule Type:
Small molecule
Molecular Formula:
C18H21N5O2
Molecular Weight:
339.4
AlogP:
0.39
PSA:
97.05
HBD:
1.0
HBA:
#RotB:
3.0
Source:
GADOTERATE MEGLUMINE
(2013)
Small molecule
Diagnostic agent
INTRAVENOUS
Approved
Unknown
GADOTERATE MEGLUMINE
×
Maximum Phase:
4
First Approval:
2013
UNII:
L0ND3981AG
Molecule Type:
Small molecule
Molecular Formula:
C23H42GdN5O13
Molecular Weight:
753.86
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
OSPEMIFENE
(2013)
Small molecule
Estrogen receptor modulator
ORAL
Approved
Atrophy; Dyspareunia; Menopause
OSPEMIFENE
×
Maximum Phase:
4
First Approval:
2013
UNII:
B0P231ILBK
Molecule Type:
Small molecule
Molecular Formula:
C24H23ClO2
Molecular Weight:
378.9
AlogP:
5.65
PSA:
29.46
HBD:
1.0
HBA:
#RotB:
8.0
Source:
DOLUTEGRAVIR
(2013)
Small molecule
Unknown
ORAL
Approved
Virus Diseases
DOLUTEGRAVIR
×
Maximum Phase:
4
First Approval:
2013
UNII:
DKO1W9H7M1
Molecule Type:
Small molecule
Molecular Formula:
C20H19F2N3O5
Molecular Weight:
419.38
AlogP:
1.35
PSA:
100.87
HBD:
2.0
HBA:
#RotB:
3.0
Source:
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Compound Name
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Molecular Formula
Molecular Weight
ALogP
PSA