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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
PIMAVANSERIN
(2016)
Small molecule
Unknown
Unknown
Approved
Psychotic Disorders
PIMAVANSERIN
×
Maximum Phase:
4
First Approval:
2016
UNII:
JZ963P0DIK
Molecule Type:
Small molecule
Molecular Formula:
C25H34FN3O2
Molecular Weight:
427.56
AlogP:
4.67
PSA:
44.81
HBD:
1.0
HBA:
#RotB:
8.0
Source:
OBETICHOLIC ACID
(2016)
Small molecule
Bile acid receptor FXR agonist
ORAL
Approved
Cholangitis; Liver Cirrhosis, Biliary
OBETICHOLIC ACID
×
Maximum Phase:
4
First Approval:
2016
UNII:
0462Z4S4OZ
Molecule Type:
Small molecule
Molecular Formula:
C26H44O4
Molecular Weight:
420.63
AlogP:
5.11
PSA:
77.76
HBD:
3.0
HBA:
#RotB:
5.0
Source:
PRASTERONE
(2016)
Small molecule
Unknown
VAGINAL
Approved
Arthritis, Rheumatoid; Dysmenorrhea; Hypogonadism; Klinefelter Syndrome; Neoplasms; Orchitis; Osteoarthritis; Pain
PRASTERONE
×
Maximum Phase:
4
First Approval:
2016
UNII:
459AG36T1B
Molecule Type:
Small molecule
Molecular Formula:
C19H28O2
Molecular Weight:
288.43
AlogP:
3.88
PSA:
37.3
HBD:
1.0
HBA:
#RotB:
0.0
Source:
CRISABOROLE
(2016)
Small molecule
Phosphodiesterase 4 inhibitor
TOPICAL
Approved
Dermatitis, Atopic; Eczema
CRISABOROLE
×
Maximum Phase:
4
First Approval:
2016
UNII:
Q2R47HGR7P
Molecule Type:
Small molecule
Molecular Formula:
C14H10BNO3
Molecular Weight:
251.05
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
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:
EPHEDRINE SULFATE
(2016)
Small molecule
Adrenergic receptor agonist
INTRAVENOUS
Approved
Asthma; Common Cold; Hypotension; Nasal Obstruction; Rhinitis, Allergic, Seasonal
EPHEDRINE SULFATE
×
Maximum Phase:
4
First Approval:
2016
UNII:
U6X61U5ZEG
Molecule Type:
Small molecule
Molecular Formula:
C20H32N2O6S
Molecular Weight:
428.55
AlogP:
1.33
PSA:
32.26
HBD:
2.0
HBA:
#RotB:
3.0
Source:
FLUCICLOVINE F18
(2016)
Small molecule
Diagnostic agent
Unknown
Approved
Unknown
FLUCICLOVINE F18
×
Maximum Phase:
4
First Approval:
2016
UNII:
38R1Q0L1ZE
Molecule Type:
Small molecule
Molecular Formula:
C6H10FNO2
Molecular Weight:
146.15
AlogP:
0.29
PSA:
63.32
HBD:
2.0
HBA:
#RotB:
1.0
Source:
LIFITEGRAST
(2016)
Small molecule
Integrin alpha-L/beta-2 (LFA-1) antagonist
OPHTHALMIC
Approved
Dry Eye Syndromes; Eye Diseases
LIFITEGRAST
×
Maximum Phase:
4
First Approval:
2016
UNII:
038E5L962W
Molecule Type:
Small molecule
Molecular Formula:
C29H24Cl2N2O7S
Molecular Weight:
615.49
AlogP:
4.77
PSA:
133.99
HBD:
2.0
HBA:
#RotB:
7.0
Source:
METHYLENE BLUE
(2016)
Small molecule
Reducing agent
INTRAVENOUS
Approved
Urinary Tract Infections
METHYLENE BLUE
×
Maximum Phase:
4
First Approval:
2016
UNII:
ZMZ79891ZH
Molecule Type:
Small molecule
Molecular Formula:
C16H24ClN3O3S
Molecular Weight:
373.91
AlogP:
2.5
PSA:
19.14
HBD:
0.0
HBA:
#RotB:
1.0
Source:
RUCAPARIB
(2016)
Small molecule
PARP 1, 2 and 3 inhibitor
Unknown
Approved
Neoplasms
RUCAPARIB
×
Maximum Phase:
4
First Approval:
2016
UNII:
8237F3U7EH
Molecule Type:
Small molecule
Molecular Formula:
C19H18FN3O
Molecular Weight:
323.37
AlogP:
2.98
PSA:
56.92
HBD:
3.0
HBA:
#RotB:
3.0
Source:
VALBENAZINE TOSYLATE
(2017)
Small molecule
Synaptic vesicular amine transporter inhibitor
ORAL
Approved
Tardive Dyskinesia
VALBENAZINE TOSYLATE
×
Maximum Phase:
4
First Approval:
2017
UNII:
5SML1T733B
Molecule Type:
Small molecule
Molecular Formula:
C38H54N2O10S2
Molecular Weight:
762.99
AlogP:
3.56
PSA:
74.02
HBD:
1.0
HBA:
#RotB:
7.0
Source:
COPANLISIB HYDROCHLORIDE
(2017)
Small molecule
PI3-kinase p110-alpha subunit inhibitor
Unknown
Approved
Lymphoma, Follicular
COPANLISIB HYDROCHLORIDE
×
Maximum Phase:
4
First Approval:
2017
UNII:
03ZI7RZ52O
Molecule Type:
Small molecule
Molecular Formula:
C23H30Cl2N8O4
Molecular Weight:
553.45
AlogP:
0.66
PSA:
139.79
HBD:
2.0
HBA:
#RotB:
7.0
Source:
NERATINIB MALEATE
(2017)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
ORAL
Approved
Breast Neoplasms
NERATINIB MALEATE
×
Maximum Phase:
4
First Approval:
2017
UNII:
9RM7XY23ZS
Molecule Type:
Small molecule
Molecular Formula:
C34H33ClN6O7
Molecular Weight:
673.13
AlogP:
5.93
PSA:
112.4
HBD:
2.0
HBA:
#RotB:
11.0
Source:
SECNIDAZOLE
(2017)
Small molecule
DNA inhibitor
ORAL
Approved
Infections; Trichomonas Infections; Vaginosis, Bacterial
SECNIDAZOLE
×
Maximum Phase:
4
First Approval:
2017
UNII:
R3459K699K
Molecule Type:
Small molecule
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.18
AlogP:
0.48
PSA:
81.19
HBD:
1.0
HBA:
#RotB:
3.0
Source:
SAFINAMIDE
(2017)
Small molecule
Monoamine oxidase B inhibitor
Unknown
Approved
Parkinson Disease
SAFINAMIDE
×
Maximum Phase:
4
First Approval:
2017
UNII:
90ENL74SIG
Molecule Type:
Small molecule
Molecular Formula:
C17H19FN2O2
Molecular Weight:
302.35
AlogP:
2.37
PSA:
64.35
HBD:
2.0
HBA:
#RotB:
7.0
Source:
TELOTRISTAT ETHYL
(2017)
Small molecule
Tryptophan 5-hydroxylase inhibitor
Unknown
Approved
Unknown
TELOTRISTAT ETHYL
×
Maximum Phase:
4
First Approval:
2017
UNII:
8G388563M7
Molecule Type:
Small molecule
Molecular Formula:
C27H26ClF3N6O3
Molecular Weight:
574.99
AlogP:
4.99
PSA:
131.17
HBD:
2.0
HBA:
#RotB:
9.0
Source:
MACIMORELIN ACETATE
(2017)
Small molecule
Ghrelin receptor agonist
ORAL
Approved
Unknown
MACIMORELIN ACETATE
×
Maximum Phase:
4
First Approval:
2017
UNII:
AQZ1003RMG
Molecule Type:
Small molecule
Molecular Formula:
C28H34N6O5
Molecular Weight:
534.62
AlogP:
1.84
PSA:
144.9
HBD:
6.0
HBA:
#RotB:
10.0
Source:
PITAVASTATIN MAGNESIUM
(2017)
Small molecule
HMG-CoA reductase inhibitor
ORAL
Approved
Dyslipidemias; Hyperlipidemias
PITAVASTATIN MAGNESIUM
×
Maximum Phase:
4
First Approval:
2017
UNII:
BDS8LUQ384
Molecule Type:
Small molecule
Molecular Formula:
C50H46F2MgN2O8
Molecular Weight:
865.22
AlogP:
4.52
PSA:
90.65
HBD:
3.0
HBA:
#RotB:
8.0
Source:
ABEMACICLIB
(2017)
Small molecule
Cyclin-dependent kinase 4 inhibitor
ORAL
Approved
Breast Neoplasms; Neoplasms
ABEMACICLIB
×
Maximum Phase:
4
First Approval:
2017
UNII:
60UAB198HK
Molecule Type:
Small molecule
Molecular Formula:
C27H32F2N8
Molecular Weight:
506.61
AlogP:
4.94
PSA:
75.0
HBD:
1.0
HBA:
#RotB:
7.0
Source:
VOXILAPREVIR
(2017)
Small molecule
Hepatitis C virus serine protease, NS3/NS4A inhibitor
Unknown
Approved
Hepatitis C, Chronic
VOXILAPREVIR
×
Maximum Phase:
4
First Approval:
2017
UNII:
0570F37359
Molecule Type:
Small molecule
Molecular Formula:
C42H58F2N6O9S
Molecular Weight:
861.02
AlogP:
5.35
PSA:
195.22
HBD:
3.0
HBA:
#RotB:
8.0
Source:
DUTETRABENAZINE
(2017)
Small molecule
Synaptic vesicular amine transporter inhibitor
Unknown
Approved
Chorea; Huntington Disease
DUTETRABENAZINE
×
Maximum Phase:
4
First Approval:
2017
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
C19H27NO3
Molecular Weight:
323.47
AlogP:
3.24
PSA:
38.77
HBD:
0.0
HBA:
#RotB:
4.0
Source:
LETERMOVIR
(2017)
Small molecule
DNA terminase inhibitor
INTRAVENOUS; ORAL
Approved
Cytomegalovirus Infections; Infections; Virus Diseases
LETERMOVIR
×
Maximum Phase:
4
First Approval:
2017
UNII:
1H09Y5WO1F
Molecule Type:
Small molecule
Molecular Formula:
C29H28F4N4O4
Molecular Weight:
572.56
AlogP:
5.71
PSA:
77.84
HBD:
1.0
HBA:
#RotB:
6.0
Source:
SAFINAMIDE MESYLATE
(2017)
Small molecule
Monoamine oxidase B inhibitor
ORAL
Approved
Parkinson Disease
SAFINAMIDE MESYLATE
×
Maximum Phase:
4
First Approval:
2017
UNII:
YS90V3DTX0
Molecule Type:
Small molecule
Molecular Formula:
C18H23FN2O5S
Molecular Weight:
398.46
AlogP:
2.37
PSA:
64.35
HBD:
2.0
HBA:
#RotB:
7.0
Source:
OZENOXACIN
(2017)
Small molecule
DNA gyrase inhibitor
TOPICAL
Approved
Impetigo
OZENOXACIN
×
Maximum Phase:
4
First Approval:
2017
UNII:
V0LH498RFO
Molecule Type:
Small molecule
Molecular Formula:
C21H21N3O3
Molecular Weight:
363.42
AlogP:
3.76
PSA:
84.22
HBD:
2.0
HBA:
#RotB:
4.0
Source:
DEFLAZACORT
(2017)
Small molecule
Glucocorticoid receptor agonist
ORAL
Approved
Muscular Dystrophies; Muscular Dystrophy, Duchenne
DEFLAZACORT
×
Maximum Phase:
4
First Approval:
2017
UNII:
KR5YZ6AE4B
Molecule Type:
Small molecule
Molecular Formula:
C25H31NO6
Molecular Weight:
441.52
AlogP:
2.56
PSA:
102.26
HBD:
1.0
HBA:
#RotB:
3.0
Source:
GLECAPREVIR
(2017)
Small molecule
Hepatitis C virus serine protease, NS3/NS4A inhibitor
Unknown
Approved
Hepatitis C, Chronic
GLECAPREVIR
×
Maximum Phase:
4
First Approval:
2017
UNII:
K6BUU8J72P
Molecule Type:
Small molecule
Molecular Formula:
C38H46F4N6O9S
Molecular Weight:
838.88
AlogP:
3.86
PSA:
195.22
HBD:
3.0
HBA:
#RotB:
6.0
Source:
PITAVASTATIN SODIUM
(2017)
Small molecule
HMG-CoA reductase inhibitor
ORAL
Approved
Dyslipidemias; Hypercholesterolemia; Hyperlipidemias; Hyperlipoproteinemia Type II
PITAVASTATIN SODIUM
×
Maximum Phase:
4
First Approval:
2017
UNII:
29556RBN9P
Molecule Type:
Small molecule
Molecular Formula:
C25H23FNNaO4
Molecular Weight:
443.45
AlogP:
4.52
PSA:
90.65
HBD:
3.0
HBA:
#RotB:
8.0
Source:
HYDROGEN PEROXIDE
(2017)
Small molecule
Unknown
TOPICAL
Approved
Gingivitis; Infections; Keratosis, Seborrheic; Pharyngitis
HYDROGEN PEROXIDE
×
Maximum Phase:
4
First Approval:
2017
UNII:
BBX060AN9V
Molecule Type:
Small molecule
Molecular Formula:
H2O2
Molecular Weight:
34.01
AlogP:
0.02
PSA:
40.46
HBD:
2.0
HBA:
#RotB:
0.0
Source:
MIDOSTAURIN
(2017)
Small molecule
Platelet-derived growth factor receptor inhibitor
ORAL
Approved
Leukemia, Mast-Cell; Leukemia, Myeloid, Acute; Mastocytosis; Mastocytosis, Systemic; Neoplasms
MIDOSTAURIN
×
Maximum Phase:
4
First Approval:
2017
UNII:
ID912S5VON
Molecule Type:
Small molecule
Molecular Formula:
C35H30N4O4
Molecular Weight:
570.65
AlogP:
5.91
PSA:
77.73
HBD:
1.0
HBA:
#RotB:
3.0
Source:
ENASIDENIB
(2017)
Small molecule
Unknown
Unknown
Approved
Neoplasms
ENASIDENIB
×
Maximum Phase:
4
First Approval:
2017
UNII:
3T1SS4E7AG
Molecule Type:
Small molecule
Molecular Formula:
C19H17F6N7O
Molecular Weight:
473.38
AlogP:
4.29
PSA:
108.74
HBD:
3.0
HBA:
#RotB:
6.0
Source:
ENASIDENIB MESYLATE
(2017)
Small molecule
Isocitrate dehydrogenase [NADP], mitochondrial inhibitor
ORAL
Approved
Leukemia, Myeloid, Acute
ENASIDENIB MESYLATE
×
Maximum Phase:
4
First Approval:
2017
UNII:
UF6PC17XAV
Molecule Type:
Small molecule
Molecular Formula:
C20H21F6N7O4S
Molecular Weight:
569.49
AlogP:
4.29
PSA:
108.74
HBD:
3.0
HBA:
#RotB:
6.0
Source:
VABORBACTAM
(2017)
Small molecule
Carbepenem-hydrolyzing beta-lactamase KPC inhibitor
Unknown
Approved
Urinary Tract Infections
VABORBACTAM
×
Maximum Phase:
4
First Approval:
2017
UNII:
1C75676F8V
Molecule Type:
Small molecule
Molecular Formula:
C12H16BNO5S
Molecular Weight:
297.14
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
NERATINIB
(2017)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
Unknown
Approved
Neoplasms
NERATINIB
×
Maximum Phase:
4
First Approval:
2017
UNII:
JJH94R3PWB
Molecule Type:
Small molecule
Molecular Formula:
C30H29ClN6O3
Molecular Weight:
557.05
AlogP:
5.93
PSA:
112.4
HBD:
2.0
HBA:
#RotB:
11.0
Source:
NETARSUDIL DIMESYLATE
(2017)
Small molecule
Rho-associated protein kinase inhibitor
OPHTHALMIC
Approved
Glaucoma, Open-Angle; Ocular Hypertension
NETARSUDIL DIMESYLATE
×
Maximum Phase:
4
First Approval:
2017
UNII:
VL756B1K0U
Molecule Type:
Small molecule
Molecular Formula:
C30H35N3O9S2
Molecular Weight:
645.76
AlogP:
4.89
PSA:
94.31
HBD:
2.0
HBA:
#RotB:
7.0
Source:
CALCIUM GLUCONATE
(2017)
Small molecule
Mineral supplement
INTRAVENOUS
Approved
Hypocalcemia
CALCIUM GLUCONATE
×
Maximum Phase:
4
First Approval:
2017
UNII:
SQE6VB453K
Molecule Type:
Small molecule
Molecular Formula:
C12H22CaO14
Molecular Weight:
430.37
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
COCAINE
(2017)
Small molecule
Unknown
Unknown
Approved
Unknown
COCAINE
×
Maximum Phase:
4
First Approval:
2017
UNII:
I5Y540LHVR
Molecule Type:
Small molecule
Molecular Formula:
C17H21NO4
Molecular Weight:
303.36
AlogP:
1.87
PSA:
55.84
HBD:
0.0
HBA:
#RotB:
3.0
Source:
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PSA