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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
LB-102
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
LB-102
×
Maximum Phase:
1
First Approval:
None
UNII:
N81WKW91XF
Molecule Type:
Small molecule
Molecular Formula:
C18H29N3O4S
Molecular Weight:
383.51
AlogP:
1.74
PSA:
87.74
HBD:
2.0
HBA:
#RotB:
8.0
Source:
URB-597
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
URB-597
×
Maximum Phase:
1
First Approval:
None
UNII:
PX47LB88FO
Molecule Type:
Small molecule
Molecular Formula:
C20H22N2O3
Molecular Weight:
338.41
AlogP:
3.87
PSA:
81.42
HBD:
2.0
HBA:
#RotB:
4.0
Source:
IMD-2560
(1)
Small molecule
Inhibitor of nuclear factor kappa B kinase beta subunit inhibitor
Unknown
Investigational
Unknown
IMD-2560
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
SGI-1776
(1)
Small molecule
Serine/threonine-protein kinase PIM inhibitor
Unknown
Investigational
Unknown
SGI-1776
×
Maximum Phase:
1
First Approval:
None
UNII:
72AUA0603W
Molecule Type:
Small molecule
Molecular Formula:
C20H22F3N5O
Molecular Weight:
405.42
AlogP:
4.05
PSA:
54.69
HBD:
1.0
HBA:
#RotB:
5.0
Source:
QAF805
(1)
Small molecule
Adenosine A2b receptor antagonist
Unknown
Investigational
Unknown
QAF805
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
AZD-7762
(1)
Small molecule
Serine/threonine-protein kinase Chk1 inhibitor
Unknown
Investigational
Unknown
AZD-7762
×
Maximum Phase:
1
First Approval:
None
UNII:
5D822Y3L1H
Molecule Type:
Small molecule
Molecular Formula:
C17H19FN4O2S
Molecular Weight:
362.43
AlogP:
2.53
PSA:
96.25
HBD:
4.0
HBA:
#RotB:
4.0
Source:
RALANITEN ACETATE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
RALANITEN ACETATE
×
Maximum Phase:
1
First Approval:
None
UNII:
L10K286T2H
Molecule Type:
Small molecule
Molecular Formula:
C27H33ClO8
Molecular Weight:
521.01
AlogP:
4.44
PSA:
97.36
HBD:
0.0
HBA:
#RotB:
13.0
Source:
GCC-4401C
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
GCC-4401C
×
Maximum Phase:
1
First Approval:
None
UNII:
I636054KKA
Molecule Type:
Small molecule
Molecular Formula:
C18H18ClN5O3S
Molecular Weight:
419.89
AlogP:
2.51
PSA:
86.27
HBD:
2.0
HBA:
#RotB:
5.0
Source:
HYODEOXYCHOLIC_ACID
(1)
Small molecule
LXR-alpha agonist
Unknown
Investigational
Unknown
HYODEOXYCHOLIC_ACID
×
Maximum Phase:
1
First Approval:
None
UNII:
7A33Y6EHYK
Molecule Type:
Small molecule
Molecular Formula:
C24H40O4
Molecular Weight:
392.58
AlogP:
4.48
PSA:
77.76
HBD:
3.0
HBA:
#RotB:
4.0
Source:
AZD8108
(1)
Small molecule
Glutamate [NMDA] receptor antagonist
Unknown
Investigational
Unknown
AZD8108
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
BMS-184476
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BMS-184476
×
Maximum Phase:
1
First Approval:
None
UNII:
3811W2NBZ8
Molecule Type:
Small molecule
Molecular Formula:
C49H55NO14S
Molecular Weight:
914.04
AlogP:
5.08
PSA:
210.29
HBD:
3.0
HBA:
#RotB:
13.0
Source:
BERBERINE CHLORIDE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BERBERINE CHLORIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
UOT4O1BYV8
Molecule Type:
Small molecule
Molecular Formula:
C20H18ClNO4
Molecular Weight:
371.82
AlogP:
3.1
PSA:
40.8
HBD:
0.0
HBA:
#RotB:
2.0
Source:
SB-85635
(1)
Small molecule
MAP kinase p38 alpha inhibitor
Unknown
Investigational
Unknown
SB-85635
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
AZD-9574
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
AZD-9574
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
JAB-3068
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
JAB-3068
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
AZD-1208
(1)
Small molecule
Serine/threonine-protein kinase PIM inhibitor
Unknown
Investigational
Unknown
AZD-1208
×
Maximum Phase:
1
First Approval:
None
UNII:
S98NFM1378
Molecule Type:
Small molecule
Molecular Formula:
C21H21N3O2S
Molecular Weight:
379.49
AlogP:
3.61
PSA:
75.43
HBD:
2.0
HBA:
#RotB:
3.0
Source:
URAPIDIL HYDROCHLORIDE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
URAPIDIL HYDROCHLORIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
PVU92PZO12
Molecule Type:
Small molecule
Molecular Formula:
C20H30ClN5O3
Molecular Weight:
423.95
AlogP:
0.72
PSA:
71.74
HBD:
1.0
HBA:
#RotB:
7.0
Source:
MURAMYL DIPEPTIDE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
MURAMYL DIPEPTIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
2U7S2HVO96
Molecule Type:
Small molecule
Molecular Formula:
C19H32N4O11
Molecular Weight:
492.48
AlogP:
-4.33
PSA:
246.84
HBD:
8.0
HBA:
#RotB:
12.0
Source:
KW-2478
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
KW-2478
×
Maximum Phase:
1
First Approval:
None
UNII:
QY50S617NM
Molecule Type:
Small molecule
Molecular Formula:
C30H42N2O9
Molecular Weight:
574.67
AlogP:
2.27
PSA:
127.23
HBD:
2.0
HBA:
#RotB:
16.0
Source:
INDIBULIN
(1)
Small molecule
Tubulin inhibitor
Unknown
Investigational
Unknown
INDIBULIN
×
Maximum Phase:
1
First Approval:
None
UNII:
80K4H2RB8P
Molecule Type:
Small molecule
Molecular Formula:
C22H16ClN3O2
Molecular Weight:
389.84
AlogP:
4.56
PSA:
63.99
HBD:
1.0
HBA:
#RotB:
5.0
Source:
R-306465
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
R-306465
×
Maximum Phase:
1
First Approval:
None
UNII:
5WD7KK1IIQ
Molecule Type:
Small molecule
Molecular Formula:
C19H19N5O4S
Molecular Weight:
413.46
AlogP:
1.26
PSA:
115.73
HBD:
2.0
HBA:
#RotB:
4.0
Source:
AZD6280
(1)
Small molecule
GABA receptor alpha-2 subunit positive allosteric modulator
Unknown
Investigational
Unknown
AZD6280
×
Maximum Phase:
1
First Approval:
None
UNII:
B9Z1OEH19D
Molecule Type:
Small molecule
Molecular Formula:
C20H22N4O3
Molecular Weight:
366.42
AlogP:
3.04
PSA:
99.36
HBD:
2.0
HBA:
#RotB:
6.0
Source:
LHF-535
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
LHF-535
×
Maximum Phase:
1
First Approval:
None
UNII:
BET7FM8SQG
Molecule Type:
Small molecule
Molecular Formula:
C27H28N2O2
Molecular Weight:
412.53
AlogP:
6.21
PSA:
47.28
HBD:
1.0
HBA:
#RotB:
6.0
Source:
BMS-986158
(1)
Small molecule
Bromodomain and extra-terminal motif (BET) inhibitor
Unknown
Investigational
Unknown
BMS-986158
×
Maximum Phase:
1
First Approval:
None
UNII:
X8BW0MQ5PI
Molecule Type:
Small molecule
Molecular Formula:
C30H33N5O2
Molecular Weight:
495.63
AlogP:
5.54
PSA:
77.99
HBD:
1.0
HBA:
#RotB:
5.0
Source:
PF-04776548
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
PF-04776548
×
Maximum Phase:
1
First Approval:
None
UNII:
CBR15S3HNJ
Molecule Type:
Small molecule
Molecular Formula:
C18H16FN3O3
Molecular Weight:
341.34
AlogP:
2.62
PSA:
67.59
HBD:
1.0
HBA:
#RotB:
3.0
Source:
BMS-387032
(1)
Small molecule
Cyclin-dependent kinase 2 inhibitor
Unknown
Investigational
Unknown
BMS-387032
×
Maximum Phase:
1
First Approval:
None
UNII:
9979I93686
Molecule Type:
Small molecule
Molecular Formula:
C17H24N4O2S2
Molecular Weight:
380.54
AlogP:
3.66
PSA:
80.05
HBD:
2.0
HBA:
#RotB:
5.0
Source:
PD-0166285
(1)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
Unknown
Investigational
Unknown
PD-0166285
×
Maximum Phase:
1
First Approval:
None
UNII:
F2UH9R2JT6
Molecule Type:
Small molecule
Molecular Formula:
C26H27Cl2N5O2
Molecular Weight:
512.44
AlogP:
5.77
PSA:
72.28
HBD:
1.0
HBA:
#RotB:
9.0
Source:
C-188-9
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
C-188-9
×
Maximum Phase:
1
First Approval:
None
UNII:
KZ3DLD11RQ
Molecule Type:
Small molecule
Molecular Formula:
C27H21NO5S
Molecular Weight:
471.53
AlogP:
5.88
PSA:
95.86
HBD:
3.0
HBA:
#RotB:
5.0
Source:
GSK-2556286
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
GSK-2556286
×
Maximum Phase:
1
First Approval:
None
UNII:
J9U8H9VQV0
Molecule Type:
Small molecule
Molecular Formula:
C18H23N3O3
Molecular Weight:
329.4
AlogP:
1.72
PSA:
78.19
HBD:
2.0
HBA:
#RotB:
4.0
Source:
BMS-903452
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BMS-903452
×
Maximum Phase:
1
First Approval:
None
UNII:
49731B9ULN
Molecule Type:
Small molecule
Molecular Formula:
C21H19Cl2FN4O4S
Molecular Weight:
513.38
AlogP:
3.52
PSA:
94.39
HBD:
0.0
HBA:
#RotB:
5.0
Source:
ABT 737
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
ABT 737
×
Maximum Phase:
1
First Approval:
None
UNII:
Z5NFR173NV
Molecule Type:
Small molecule
Molecular Formula:
C42H45ClN6O5S2
Molecular Weight:
813.45
AlogP:
7.88
PSA:
128.13
HBD:
2.0
HBA:
#RotB:
16.0
Source:
TAS-119
(1)
Small molecule
Serine/threonine-protein kinase Aurora-A inhibitor
Unknown
Investigational
Unknown
TAS-119
×
Maximum Phase:
1
First Approval:
None
UNII:
6A57J83J27
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
AZD-7687
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
AZD-7687
×
Maximum Phase:
1
First Approval:
None
UNII:
6QTJ9P2NYT
Molecule Type:
Small molecule
Molecular Formula:
C21H25N3O3
Molecular Weight:
367.45
AlogP:
3.61
PSA:
106.17
HBD:
2.0
HBA:
#RotB:
5.0
Source:
RECILISIB
(1)
Small molecule
PI3-kinase class I inhibitor
Unknown
Investigational
Unknown
RECILISIB
×
Maximum Phase:
1
First Approval:
None
UNII:
F5V4K11SYV
Molecule Type:
Small molecule
Molecular Formula:
C16H13ClO4S
Molecular Weight:
336.8
AlogP:
3.62
PSA:
71.44
HBD:
1.0
HBA:
#RotB:
5.0
Source:
CHLORCYCLIZINE HYDROCHLORIDE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
CHLORCYCLIZINE HYDROCHLORIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
NPB7A7874U
Molecule Type:
Small molecule
Molecular Formula:
C18H22Cl2N2
Molecular Weight:
337.29
AlogP:
3.68
PSA:
6.48
HBD:
0.0
HBA:
#RotB:
3.0
Source:
CMS-121
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
CMS-121
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
1
2
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Compound Name
Maximum Phase
Compound Structure
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Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA