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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
NEBICAPONE
(2)
Small molecule
Catechol O-methyltransferase inhibitor
Unknown
Investigational
Unknown
NEBICAPONE
×
Maximum Phase:
2
First Approval:
None
UNII:
NM2KXJ990T
Molecule Type:
Small molecule
Molecular Formula:
C14H11NO5
Molecular Weight:
273.24
AlogP:
2.43
PSA:
100.67
HBD:
2.0
HBA:
#RotB:
4.0
Source:
PRX-08066
(2)
Small molecule
Serotonin 2b (5-HT2b) receptor antagonist
Unknown
Investigational
Unknown
PRX-08066
×
Maximum Phase:
2
First Approval:
None
UNII:
92E9B7675Y
Molecule Type:
Small molecule
Molecular Formula:
C23H21ClFN5O4S
Molecular Weight:
517.97
AlogP:
4.43
PSA:
64.84
HBD:
1.0
HBA:
#RotB:
4.0
Source:
5-FLUOROURIDINE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
5-FLUOROURIDINE
×
Maximum Phase:
2
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
JNJ-39393406
(2)
Small molecule
Neuronal acetylcholine receptor protein alpha-7 subunit positive allosteric modulator
Unknown
Investigational
Unknown
JNJ-39393406
×
Maximum Phase:
2
First Approval:
None
UNII:
T930SOU82P
Molecule Type:
Small molecule
Molecular Formula:
C19H18F2N6O3
Molecular Weight:
416.39
AlogP:
2.88
PSA:
94.4
HBD:
1.0
HBA:
#RotB:
6.0
Source:
FLORBENAZINE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
FLORBENAZINE
×
Maximum Phase:
2
First Approval:
None
UNII:
K5GDY88W5X
Molecule Type:
Small molecule
Molecular Formula:
C21H32FNO3
Molecular Weight:
365.49
AlogP:
3.76
PSA:
41.93
HBD:
1.0
HBA:
#RotB:
7.0
Source:
PIRITREXIM
(2)
Small molecule
Dihydrofolate reductase inhibitor
Unknown
Investigational
Unknown
PIRITREXIM
×
Maximum Phase:
2
First Approval:
None
UNII:
MK2A783ZUT
Molecule Type:
Small molecule
Molecular Formula:
C17H19N5O2
Molecular Weight:
325.37
AlogP:
2.11
PSA:
109.17
HBD:
2.0
HBA:
#RotB:
4.0
Source:
TEGOBUVIR
(2)
Small molecule
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor
Unknown
Investigational
Unknown
TEGOBUVIR
×
Maximum Phase:
2
First Approval:
None
UNII:
5NOK5X389M
Molecule Type:
Small molecule
Molecular Formula:
C25H14F7N5
Molecular Weight:
517.41
AlogP:
6.73
PSA:
56.49
HBD:
0.0
HBA:
#RotB:
4.0
Source:
ETAVOPIVAT
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
ETAVOPIVAT
×
Maximum Phase:
2
First Approval:
None
UNII:
V4E0A9M44Q
Molecule Type:
Small molecule
Molecular Formula:
C22H23N3O6S
Molecular Weight:
457.51
AlogP:
0.77
PSA:
109.27
HBD:
1.0
HBA:
#RotB:
5.0
Source:
OCTANOIC ACID
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
OCTANOIC ACID
×
Maximum Phase:
2
First Approval:
None
UNII:
OBL58JN025
Molecule Type:
Small molecule
Molecular Formula:
C8H16O2
Molecular Weight:
144.21
AlogP:
2.43
PSA:
37.3
HBD:
1.0
HBA:
#RotB:
6.0
Source:
EGANELISIB
(2)
Small molecule
PI3-kinase p110-gamma subunit inhibitor
Unknown
Investigational
Unknown
EGANELISIB
×
Maximum Phase:
2
First Approval:
None
UNII:
FOF5155FMZ
Molecule Type:
Small molecule
Molecular Formula:
C30H24N8O2
Molecular Weight:
528.58
AlogP:
3.24
PSA:
125.13
HBD:
2.0
HBA:
#RotB:
4.0
Source:
EPELSIBAN BESYLATE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
EPELSIBAN BESYLATE
×
Maximum Phase:
2
First Approval:
None
UNII:
H629P9T4UN
Molecule Type:
Small molecule
Molecular Formula:
C36H44N4O7S
Molecular Weight:
676.84
AlogP:
2.76
PSA:
91.84
HBD:
1.0
HBA:
#RotB:
6.0
Source:
AZD1446
(2)
Small molecule
Neuronal acetylcholine receptor; alpha4/beta2 agonist
Unknown
Investigational
Unknown
AZD1446
×
Maximum Phase:
2
First Approval:
None
UNII:
ANR9OP1V17
Molecule Type:
Small molecule
Molecular Formula:
C11H13ClN2O2
Molecular Weight:
240.69
AlogP:
1.22
PSA:
45.48
HBD:
1.0
HBA:
#RotB:
1.0
Source:
HYDROXYPROGESTERONE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
HYDROXYPROGESTERONE
×
Maximum Phase:
2
First Approval:
None
UNII:
21807M87J2
Molecule Type:
Small molecule
Molecular Formula:
C21H30O3
Molecular Weight:
330.47
AlogP:
3.84
PSA:
54.37
HBD:
1.0
HBA:
#RotB:
1.0
Source:
REVAPRAZAN
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
REVAPRAZAN
×
Maximum Phase:
2
First Approval:
None
UNII:
5P184180P5
Molecule Type:
Small molecule
Molecular Formula:
C22H23FN4
Molecular Weight:
362.45
AlogP:
5.1
PSA:
41.05
HBD:
1.0
HBA:
#RotB:
3.0
Source:
CTS-1027
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
CTS-1027
×
Maximum Phase:
2
First Approval:
None
UNII:
2QD3F58224
Molecule Type:
Small molecule
Molecular Formula:
C19H20ClNO6S
Molecular Weight:
425.89
AlogP:
3.21
PSA:
101.93
HBD:
2.0
HBA:
#RotB:
6.0
Source:
TAK-448
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
TAK-448
×
Maximum Phase:
2
First Approval:
None
UNII:
YO029HR229
Molecule Type:
Small molecule
Molecular Formula:
C58H80N16O14
Molecular Weight:
1225.38
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
PRS-211375
(2)
Small molecule
Cannabinoid CB2 receptor agonist
Unknown
Investigational
Unknown
PRS-211375
×
Maximum Phase:
2
First Approval:
None
UNII:
O8E148Q90M
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
9-AMINOCAMPTOTHECIN
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
9-AMINOCAMPTOTHECIN
×
Maximum Phase:
2
First Approval:
None
UNII:
5MB77ICE2Q
Molecule Type:
Small molecule
Molecular Formula:
C20H17N3O4
Molecular Weight:
363.37
AlogP:
1.66
PSA:
107.44
HBD:
2.0
HBA:
#RotB:
1.0
Source:
VESTIPITANT MESYLATE
(2)
Small molecule
Neurokinin 1 receptor antagonist
Unknown
Investigational
Unknown
VESTIPITANT MESYLATE
×
Maximum Phase:
2
First Approval:
None
UNII:
OWR424W90Q
Molecule Type:
Small molecule
Molecular Formula:
C24H28F7N3O4S
Molecular Weight:
587.56
AlogP:
5.93
PSA:
35.58
HBD:
1.0
HBA:
#RotB:
3.0
Source:
BATEFENTEROL
(2)
Small molecule
Beta-2 adrenergic receptor agonist
Unknown
Investigational
Unknown
BATEFENTEROL
×
Maximum Phase:
2
First Approval:
None
UNII:
1IAT42T80T
Molecule Type:
Small molecule
Molecular Formula:
C40H42ClN5O7
Molecular Weight:
740.26
AlogP:
6.43
PSA:
165.25
HBD:
6.0
HBA:
#RotB:
13.0
Source:
GW-274150
(2)
Small molecule
Nitric oxide synthase, inducible inhibitor
Unknown
Investigational
Unknown
GW-274150
×
Maximum Phase:
2
First Approval:
None
UNII:
0ZZF1V8G63
Molecule Type:
Small molecule
Molecular Formula:
C8H17N3O2S
Molecular Weight:
219.31
AlogP:
0.11
PSA:
99.2
HBD:
4.0
HBA:
#RotB:
7.0
Source:
BATABULIN
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
BATABULIN
×
Maximum Phase:
2
First Approval:
None
UNII:
T4NP8G3K6Q
Molecule Type:
Small molecule
Molecular Formula:
C13H7F6NO3S
Molecular Weight:
371.26
AlogP:
3.33
PSA:
55.4
HBD:
1.0
HBA:
#RotB:
4.0
Source:
IBEZAPOLSTAT
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
IBEZAPOLSTAT
×
Maximum Phase:
2
First Approval:
None
UNII:
5K543KNC5P
Molecule Type:
Small molecule
Molecular Formula:
C18H20Cl2N6O2
Molecular Weight:
423.3
AlogP:
2.37
PSA:
88.07
HBD:
2.0
HBA:
#RotB:
6.0
Source:
NS-2359
(2)
Small molecule
Monoamine transporter inhibitor
Unknown
Investigational
Unknown
NS-2359
×
Maximum Phase:
2
First Approval:
None
UNII:
76H76554PA
Molecule Type:
Small molecule
Molecular Formula:
C16H21Cl2NO
Molecular Weight:
314.26
AlogP:
4.21
PSA:
12.47
HBD:
0.0
HBA:
#RotB:
3.0
Source:
FLUBENTYLOSIN
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
FLUBENTYLOSIN
×
Maximum Phase:
2
First Approval:
None
UNII:
HXL1F57P8O
Molecule Type:
Small molecule
Molecular Formula:
C53H82FNO17
Molecular Weight:
1024.23
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
L-NAME
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
L-NAME
×
Maximum Phase:
2
First Approval:
None
UNII:
V55S2QJN2X
Molecule Type:
Small molecule
Molecular Formula:
C7H15N5O4
Molecular Weight:
233.23
AlogP:
-1.43
PSA:
143.37
HBD:
4.0
HBA:
#RotB:
6.0
Source:
CC-115
(2)
Small molecule
DNA-dependent protein kinase inhibitor
Unknown
Investigational
Unknown
CC-115
×
Maximum Phase:
2
First Approval:
None
UNII:
FII75TFH5L
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
PBF-680
(2)
Small molecule
Adenosine A1 receptor antagonist
Unknown
Investigational
Unknown
PBF-680
×
Maximum Phase:
2
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
ALAGEBRIUM
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
ALAGEBRIUM
×
Maximum Phase:
2
First Approval:
None
UNII:
DGH49JXB1F
Molecule Type:
Small molecule
Molecular Formula:
C13H14NOS+
Molecular Weight:
232.33
AlogP:
2.54
PSA:
20.95
HBD:
0.0
HBA:
#RotB:
3.0
Source:
PAGOCLONE
(2)
Small molecule
GABA-A receptor; anion channel positive allosteric modulator
Unknown
Investigational
Unknown
PAGOCLONE
×
Maximum Phase:
2
First Approval:
None
UNII:
38VAG2SA33
Molecule Type:
Small molecule
Molecular Formula:
C23H22ClN3O2
Molecular Weight:
407.9
AlogP:
5.38
PSA:
63.16
HBD:
0.0
HBA:
#RotB:
6.0
Source:
RADALBUVIR
(2)
Small molecule
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor
Unknown
Investigational
Unknown
RADALBUVIR
×
Maximum Phase:
2
First Approval:
None
UNII:
273K4V0SPC
Molecule Type:
Small molecule
Molecular Formula:
C30H41NO6S
Molecular Weight:
543.73
AlogP:
5.4
PSA:
96.3
HBD:
2.0
HBA:
#RotB:
7.0
Source:
SOTRASTAURIN
(2)
Small molecule
Protein kinase C (PKC) inhibitor
Unknown
Investigational
Unknown
SOTRASTAURIN
×
Maximum Phase:
2
First Approval:
None
UNII:
7I279E1NZ8
Molecule Type:
Small molecule
Molecular Formula:
C25H22N6O2
Molecular Weight:
438.49
AlogP:
2.43
PSA:
94.22
HBD:
2.0
HBA:
#RotB:
3.0
Source:
STG-001
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
STG-001
×
Maximum Phase:
2
First Approval:
None
UNII:
IK88NC17OD
Molecule Type:
Small molecule
Molecular Formula:
C14H10F6N2O2
Molecular Weight:
352.23
AlogP:
4.06
PSA:
55.12
HBD:
1.0
HBA:
#RotB:
4.0
Source:
TAS-117
(2)
Small molecule
Serine/threonine-protein kinase AKT negative allosteric modulator
Unknown
Investigational
Unknown
TAS-117
×
Maximum Phase:
2
First Approval:
None
UNII:
QI52W1ZIIB
Molecule Type:
Small molecule
Molecular Formula:
C26H24N4O2
Molecular Weight:
424.5
AlogP:
4.33
PSA:
86.19
HBD:
2.0
HBA:
#RotB:
3.0
Source:
REFAMETINIB
(2)
Small molecule
Dual specificity mitogen-activated protein kinase kinase 1 inhibitor
Unknown
Investigational
Unknown
REFAMETINIB
×
Maximum Phase:
2
First Approval:
None
UNII:
JPX07AFM0N
Molecule Type:
Small molecule
Molecular Formula:
C19H20F3IN2O5S
Molecular Weight:
572.34
AlogP:
3.48
PSA:
107.89
HBD:
4.0
HBA:
#RotB:
9.0
Source:
BALAPIRAVIR
(2)
Small molecule
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor
Unknown
Investigational
Unknown
BALAPIRAVIR
×
Maximum Phase:
2
First Approval:
None
UNII:
VOT0LP7I9K
Molecule Type:
Small molecule
Molecular Formula:
C21H30N6O8
Molecular Weight:
494.51
AlogP:
1.7
PSA:
197.8
HBD:
1.0
HBA:
#RotB:
9.0
Source:
1
2
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142
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144
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Molecular Formula
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ALogP
PSA