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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
MK-2461
(2)
Small molecule
Hepatocyte growth factor receptor inhibitor
Unknown
Investigational
Unknown
MK-2461
×
Maximum Phase:
2
First Approval:
None
UNII:
4200RD53XF
Molecule Type:
Small molecule
Molecular Formula:
C24H25N5O5S
Molecular Weight:
495.56
AlogP:
2.15
PSA:
115.65
HBD:
1.0
HBA:
#RotB:
6.0
Source:
ECLITASERTIB
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
ECLITASERTIB
×
Maximum Phase:
2
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
AFELETECAN HYDROCHLORIDE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
AFELETECAN HYDROCHLORIDE
×
Maximum Phase:
2
First Approval:
None
UNII:
DTJ7VPW43J
Molecule Type:
Small molecule
Molecular Formula:
C45H50ClN7O11S
Molecular Weight:
932.45
AlogP:
2.95
PSA:
237.48
HBD:
6.0
HBA:
#RotB:
13.0
Source:
TETRACHLORODECAOXIDE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
TETRACHLORODECAOXIDE
×
Maximum Phase:
2
First Approval:
None
UNII:
549BT7IE1Q
Molecule Type:
Small molecule
Molecular Formula:
H2Cl4O11-4
Molecular Weight:
319.82
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
ARHALOFENATE
(2)
Small molecule
Peroxisome proliferator-activated receptor gamma modulator
Unknown
Investigational
Unknown
ARHALOFENATE
×
Maximum Phase:
2
First Approval:
None
UNII:
1P01UJR9X1
Molecule Type:
Small molecule
Molecular Formula:
C19H17ClF3NO4
Molecular Weight:
415.8
AlogP:
4.16
PSA:
64.63
HBD:
1.0
HBA:
#RotB:
7.0
Source:
LY545694
(2)
Small molecule
Metabotropic glutamate receptor 5 antagonist
Unknown
Investigational
Unknown
LY545694
×
Maximum Phase:
2
First Approval:
None
UNII:
M7BFC308LR
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
BELVARAFENIB
(2)
Small molecule
RAF serine/threonine protein kinase inhibitor
Unknown
Investigational
Unknown
BELVARAFENIB
×
Maximum Phase:
2
First Approval:
None
UNII:
31M3WLJ3KG
Molecule Type:
Small molecule
Molecular Formula:
C23H16ClFN6OS
Molecular Weight:
478.94
AlogP:
5.92
PSA:
105.82
HBD:
3.0
HBA:
#RotB:
4.0
Source:
BGC-20-1531
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
BGC-20-1531
×
Maximum Phase:
2
First Approval:
None
UNII:
9QV7JG4XYZ
Molecule Type:
Small molecule
Molecular Formula:
C26H23N2NaO6S
Molecular Weight:
514.54
AlogP:
4.66
PSA:
107.73
HBD:
1.0
HBA:
#RotB:
8.0
Source:
ALLICIN
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
ALLICIN
×
Maximum Phase:
2
First Approval:
None
UNII:
3C39BY17Y6
Molecule Type:
Small molecule
Molecular Formula:
C6H10OS2
Molecular Weight:
162.28
AlogP:
1.76
PSA:
17.07
HBD:
0.0
HBA:
#RotB:
5.0
Source:
CIMICOXIB
(2)
Small molecule
Cyclooxygenase-2 inhibitor
Unknown
Investigational
Unknown
CIMICOXIB
×
Maximum Phase:
2
First Approval:
None
UNII:
W7FHJ107MC
Molecule Type:
Small molecule
Molecular Formula:
C16H13ClFN3O3S
Molecular Weight:
381.82
AlogP:
2.99
PSA:
87.21
HBD:
1.0
HBA:
#RotB:
4.0
Source:
GSK-2256098
(2)
Small molecule
Focal adhesion kinase 1 inhibitor
Unknown
Investigational
Unknown
GSK-2256098
×
Maximum Phase:
2
First Approval:
None
UNII:
R7O0O4110G
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
ZURETINOL ACETATE
(2)
Small molecule
Molecule (9-cis-retinol) replacement
Unknown
Investigational
Unknown
ZURETINOL ACETATE
×
Maximum Phase:
2
First Approval:
None
UNII:
2K3YP54BYU
Molecule Type:
Small molecule
Molecular Formula:
C22H32O2
Molecular Weight:
328.5
AlogP:
6.08
PSA:
26.3
HBD:
0.0
HBA:
#RotB:
6.0
Source:
ISOLEUCINE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
ISOLEUCINE
×
Maximum Phase:
2
First Approval:
None
UNII:
5HX0BYT4E3
Molecule Type:
Small molecule
Molecular Formula:
C6H13NO2
Molecular Weight:
131.18
AlogP:
0.44
PSA:
63.32
HBD:
2.0
HBA:
#RotB:
3.0
Source:
PF-03463275
(2)
Small molecule
Glycine transporter 1 inhibitor
Unknown
Investigational
Unknown
PF-03463275
×
Maximum Phase:
2
First Approval:
None
UNII:
3U6T9EE6UX
Molecule Type:
Small molecule
Molecular Formula:
C19H22ClFN4O
Molecular Weight:
376.86
AlogP:
2.66
PSA:
41.37
HBD:
0.0
HBA:
#RotB:
5.0
Source:
CENSAVUDINE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
CENSAVUDINE
×
Maximum Phase:
2
First Approval:
None
UNII:
6IE83O6NGA
Molecule Type:
Small molecule
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.24
AlogP:
-0.71
PSA:
84.32
HBD:
2.0
HBA:
#RotB:
2.0
Source:
NEFLAMAPIMOD
(2)
Small molecule
MAP kinase p38 alpha inhibitor
Unknown
Investigational
Unknown
NEFLAMAPIMOD
×
Maximum Phase:
2
First Approval:
None
UNII:
TYL52QM320
Molecule Type:
Small molecule
Molecular Formula:
C19H9Cl2F2N3OS
Molecular Weight:
436.27
AlogP:
5.49
PSA:
47.26
HBD:
0.0
HBA:
#RotB:
3.0
Source:
IMEGLIMIN
(2)
Small molecule
Modulates mitochondrial respiratory chain and ROS
Unknown
Investigational
Unknown
IMEGLIMIN
×
Maximum Phase:
2
First Approval:
None
UNII:
UU226QGU97
Molecule Type:
Small molecule
Molecular Formula:
C6H13N5
Molecular Weight:
155.21
AlogP:
-0.83
PSA:
66.01
HBD:
2.0
HBA:
#RotB:
0.0
Source:
DUVOGLUSTAT HYDROCHLORIDE
(2)
Small molecule
Lysosomal alpha-glucosidase stabiliser
Unknown
Investigational
Unknown
DUVOGLUSTAT HYDROCHLORIDE
×
Maximum Phase:
2
First Approval:
None
UNII:
0RN23C42QR
Molecule Type:
Small molecule
Molecular Formula:
C6H14ClNO4
Molecular Weight:
199.63
AlogP:
-2.97
PSA:
92.95
HBD:
5.0
HBA:
#RotB:
1.0
Source:
AUS-131
(2)
Small molecule
Estrogen receptor beta agonist
Unknown
Investigational
Unknown
AUS-131
×
Maximum Phase:
2
First Approval:
None
UNII:
2T6D2HPX7Q
Molecule Type:
Small molecule
Molecular Formula:
C15H14O3
Molecular Weight:
242.27
AlogP:
2.82
PSA:
49.69
HBD:
2.0
HBA:
#RotB:
1.0
Source:
TIRATRICOL
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
TIRATRICOL
×
Maximum Phase:
2
First Approval:
None
UNII:
29OQ9EU4R1
Molecule Type:
Small molecule
Molecular Formula:
C14H9I3O4
Molecular Weight:
621.93
AlogP:
4.63
PSA:
66.76
HBD:
2.0
HBA:
#RotB:
4.0
Source:
CH-1504
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
CH-1504
×
Maximum Phase:
2
First Approval:
None
UNII:
8Y3RH62XPB
Molecule Type:
Small molecule
Molecular Formula:
C23H23N5O5
Molecular Weight:
449.47
AlogP:
1.79
PSA:
181.52
HBD:
5.0
HBA:
#RotB:
9.0
Source:
OXAZOLIDINE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
OXAZOLIDINE
×
Maximum Phase:
2
First Approval:
None
UNII:
13F52UF6MR
Molecule Type:
Small molecule
Molecular Formula:
C3H7NO
Molecular Weight:
73.09
AlogP:
-0.44
PSA:
21.26
HBD:
1.0
HBA:
#RotB:
0.0
Source:
CG-400549
(2)
Small molecule
Enoyl-[acyl-carrier-protein] reductase (FabI) inhibitor
Unknown
Investigational
Unknown
CG-400549
×
Maximum Phase:
2
First Approval:
None
UNII:
4X6T64D64X
Molecule Type:
Small molecule
Molecular Formula:
C19H20N2O2S
Molecular Weight:
340.45
AlogP:
3.47
PSA:
57.25
HBD:
1.0
HBA:
#RotB:
6.0
Source:
PREDNIMUSTINE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
PREDNIMUSTINE
×
Maximum Phase:
2
First Approval:
None
UNII:
9403SIO2S8
Molecule Type:
Small molecule
Molecular Formula:
C35H45Cl2NO6
Molecular Weight:
646.65
AlogP:
5.42
PSA:
104.14
HBD:
2.0
HBA:
#RotB:
12.0
Source:
AMITIFADINE HYDROCHLORIDE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
AMITIFADINE HYDROCHLORIDE
×
Maximum Phase:
2
First Approval:
None
UNII:
R01R720TVG
Molecule Type:
Small molecule
Molecular Formula:
C11H12Cl3N
Molecular Weight:
264.58
AlogP:
2.85
PSA:
12.03
HBD:
1.0
HBA:
#RotB:
1.0
Source:
SELURAMPANEL
(2)
Small molecule
Glutamate receptor ionotropic AMPA antagonist
Unknown
Investigational
Unknown
SELURAMPANEL
×
Maximum Phase:
2
First Approval:
None
UNII:
7WG1MR7DAR
Molecule Type:
Small molecule
Molecular Formula:
C16H19N5O4S
Molecular Weight:
377.43
AlogP:
0.72
PSA:
118.85
HBD:
2.0
HBA:
#RotB:
4.0
Source:
BURIXAFOR
(2)
Small molecule
C-X-C chemokine receptor type 4 antagonist
Unknown
Investigational
Unknown
BURIXAFOR
×
Maximum Phase:
2
First Approval:
None
UNII:
2G17Y0Q20G
Molecule Type:
Small molecule
Molecular Formula:
C27H51N8O3P
Molecular Weight:
566.73
AlogP:
2.48
PSA:
151.9
HBD:
6.0
HBA:
#RotB:
14.0
Source:
ATB-346
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
ATB-346
×
Maximum Phase:
2
First Approval:
None
UNII:
3096O7WP53
Molecule Type:
Small molecule
Molecular Formula:
C21H19NO3S
Molecular Weight:
365.45
AlogP:
4.19
PSA:
61.55
HBD:
1.0
HBA:
#RotB:
5.0
Source:
GSK-1004723
(2)
Small molecule
Histamine H1 receptor antagonist
Unknown
Investigational
Unknown
GSK-1004723
×
Maximum Phase:
2
First Approval:
None
UNII:
S08212J4ZR
Molecule Type:
Small molecule
Molecular Formula:
C39H49ClN4O2
Molecular Weight:
641.3
AlogP:
7.77
PSA:
50.6
HBD:
0.0
HBA:
#RotB:
14.0
Source:
BILR 355
(2)
Small molecule
Human immunodeficiency virus type 1 reverse transcriptase inhibitor
Unknown
Investigational
Unknown
BILR 355
×
Maximum Phase:
2
First Approval:
None
UNII:
V7T28EEE1C
Molecule Type:
Small molecule
Molecular Formula:
C25H23N5O3
Molecular Weight:
441.49
AlogP:
3.63
PSA:
85.5
HBD:
0.0
HBA:
#RotB:
5.0
Source:
CC-401
(2)
Small molecule
c-Jun N-terminal kinase 1 inhibitor
Unknown
Investigational
Unknown
CC-401
×
Maximum Phase:
2
First Approval:
None
UNII:
NOE38VQA1W
Molecule Type:
Small molecule
Molecular Formula:
C22H24N6O
Molecular Weight:
388.48
AlogP:
3.88
PSA:
82.72
HBD:
2.0
HBA:
#RotB:
6.0
Source:
CP-601927
(2)
Small molecule
Neuronal acetylcholine receptor; alpha4/beta2 partial agonist
Unknown
Investigational
Unknown
CP-601927
×
Maximum Phase:
2
First Approval:
None
UNII:
VI5LR1EU47
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
CHLORSULFAQUINOXALINE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
CHLORSULFAQUINOXALINE
×
Maximum Phase:
2
First Approval:
None
UNII:
O0408QB48D
Molecule Type:
Small molecule
Molecular Formula:
C14H11ClN4O2S
Molecular Weight:
334.79
AlogP:
2.67
PSA:
97.97
HBD:
2.0
HBA:
#RotB:
3.0
Source:
TALMAPIMOD
(2)
Small molecule
MAP kinase p38 alpha inhibitor
Unknown
Investigational
Unknown
TALMAPIMOD
×
Maximum Phase:
2
First Approval:
None
UNII:
B1E00KQ6NT
Molecule Type:
Small molecule
Molecular Formula:
C27H30ClFN4O3
Molecular Weight:
513.01
AlogP:
3.98
PSA:
65.86
HBD:
0.0
HBA:
#RotB:
5.0
Source:
NAVEGLITAZAR
(2)
Small molecule
Peroxisome proliferator-activated receptor alpha agonist
Unknown
Investigational
Unknown
NAVEGLITAZAR
×
Maximum Phase:
2
First Approval:
None
UNII:
Y995M7GM0G
Molecule Type:
Small molecule
Molecular Formula:
C25H26O6
Molecular Weight:
422.48
AlogP:
4.97
PSA:
74.22
HBD:
1.0
HBA:
#RotB:
12.0
Source:
VARLITINIB
(2)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
Unknown
Investigational
Unknown
VARLITINIB
×
Maximum Phase:
2
First Approval:
None
UNII:
846Y8197W1
Molecule Type:
Small molecule
Molecular Formula:
C22H19ClN6O2S
Molecular Weight:
466.95
AlogP:
5.25
PSA:
93.55
HBD:
2.0
HBA:
#RotB:
6.0
Source:
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Molecular Formula
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ALogP
PSA