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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
GS-6620
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
GS-6620
×
Maximum Phase:
1
First Approval:
None
UNII:
WD5DUG7X38
Molecule Type:
Small molecule
Molecular Formula:
C29H37N6O9P
Molecular Weight:
644.62
AlogP:
2.88
PSA:
209.62
HBD:
3.0
HBA:
#RotB:
12.0
Source:
ABT-107
(1)
Small molecule
Neuronal acetylcholine receptor protein alpha-7 subunit agonist
Unknown
Investigational
Unknown
ABT-107
×
Maximum Phase:
1
First Approval:
None
UNII:
SXS38HR98H
Molecule Type:
Small molecule
Molecular Formula:
C19H20N4O
Molecular Weight:
320.4
AlogP:
3.1
PSA:
54.04
HBD:
1.0
HBA:
#RotB:
3.0
Source:
MUSCIMOL
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
MUSCIMOL
×
Maximum Phase:
1
First Approval:
None
UNII:
D5M179TY2E
Molecule Type:
Small molecule
Molecular Formula:
C4H6N2O2
Molecular Weight:
114.1
AlogP:
-0.16
PSA:
72.28
HBD:
2.0
HBA:
#RotB:
1.0
Source:
RG-7167
(1)
Small molecule
Dual specificity mitogen-activated protein kinase kinase; MEK1/2 inhibitor
Unknown
Investigational
Unknown
RG-7167
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
GSK-356278
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
GSK-356278
×
Maximum Phase:
1
First Approval:
None
UNII:
1QTA9P992C
Molecule Type:
Small molecule
Molecular Formula:
C21H25N7O2S
Molecular Weight:
439.55
AlogP:
3.76
PSA:
103.78
HBD:
1.0
HBA:
#RotB:
6.0
Source:
LS-104
(1)
Small molecule
Tyrosine-protein kinase JAK2 inhibitor
Unknown
Investigational
Unknown
LS-104
×
Maximum Phase:
1
First Approval:
None
UNII:
T669M1395I
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
DUBERMATINIB
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
DUBERMATINIB
×
Maximum Phase:
1
First Approval:
None
UNII:
14D65TV20J
Molecule Type:
Small molecule
Molecular Formula:
C24H30ClN7O2S
Molecular Weight:
516.07
AlogP:
3.61
PSA:
93.7
HBD:
2.0
HBA:
#RotB:
8.0
Source:
MK-6186
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
MK-6186
×
Maximum Phase:
1
First Approval:
None
UNII:
K3978U665M
Molecule Type:
Small molecule
Molecular Formula:
C21H12Cl2N6O
Molecular Weight:
435.27
AlogP:
5.33
PSA:
92.41
HBD:
1.0
HBA:
#RotB:
4.0
Source:
BLI-489
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BLI-489
×
Maximum Phase:
1
First Approval:
None
UNII:
R56JYB8P8Z
Molecule Type:
Small molecule
Molecular Formula:
C13H11N3O4S
Molecular Weight:
305.31
AlogP:
0.64
PSA:
84.66
HBD:
1.0
HBA:
#RotB:
2.0
Source:
ELSULFAVIRINE SODIUM
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
ELSULFAVIRINE SODIUM
×
Maximum Phase:
1
First Approval:
None
UNII:
HKK2U3V1DT
Molecule Type:
Small molecule
Molecular Formula:
C24H16BrCl2FN3NaO5S
Molecular Weight:
651.27
AlogP:
5.96
PSA:
125.36
HBD:
2.0
HBA:
#RotB:
8.0
Source:
2-(4-METHOXYPHENOXY)PROPANOIC ACID
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
2-(4-METHOXYPHENOXY)PROPANOIC ACID
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
BI113823
(1)
Small molecule
Bradykinin B1 receptor antagonist
Unknown
Investigational
Unknown
BI113823
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
PINOMETOSTAT
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
PINOMETOSTAT
×
Maximum Phase:
1
First Approval:
None
UNII:
8V9YR09EF3
Molecule Type:
Small molecule
Molecular Formula:
C30H42N8O3
Molecular Weight:
562.72
AlogP:
3.32
PSA:
151.23
HBD:
4.0
HBA:
#RotB:
8.0
Source:
GSK-2647544
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
GSK-2647544
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
ZOTIRACICLIB
(1)
Small molecule
Cyclin-dependent kinase 1 inhibitor
Unknown
Investigational
Unknown
ZOTIRACICLIB
×
Maximum Phase:
1
First Approval:
None
UNII:
40D08182TT
Molecule Type:
Small molecule
Molecular Formula:
C23H24N4O
Molecular Weight:
372.47
AlogP:
4.66
PSA:
50.28
HBD:
1.0
HBA:
#RotB:
0.0
Source:
BMS-794833
(1)
Small molecule
Hepatocyte growth factor receptor inhibitor
Unknown
Investigational
Unknown
BMS-794833
×
Maximum Phase:
1
First Approval:
None
UNII:
SAY8KVM4HU
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
BMS-962212
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BMS-962212
×
Maximum Phase:
1
First Approval:
None
UNII:
VWJ4VVZ3OU
Molecule Type:
Small molecule
Molecular Formula:
C32H28ClFN8O5
Molecular Weight:
659.08
AlogP:
3.21
PSA:
153.86
HBD:
2.0
HBA:
#RotB:
7.0
Source:
MK-2748
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
MK-2748
×
Maximum Phase:
1
First Approval:
None
UNII:
7YM030A71C
Molecule Type:
Small molecule
Molecular Formula:
C42H56N6O10S
Molecular Weight:
837.01
AlogP:
3.84
PSA:
204.33
HBD:
3.0
HBA:
#RotB:
8.0
Source:
LITOXETINE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
LITOXETINE
×
Maximum Phase:
1
First Approval:
None
UNII:
9980ST005G
Molecule Type:
Small molecule
Molecular Formula:
C16H19NO
Molecular Weight:
241.33
AlogP:
3.11
PSA:
21.26
HBD:
1.0
HBA:
#RotB:
3.0
Source:
BI 639667
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BI 639667
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
C22H18FN5O3S
Molecular Weight:
451.48
AlogP:
2.78
PSA:
106.84
HBD:
1.0
HBA:
#RotB:
5.0
Source:
LY-3200882
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
LY-3200882
×
Maximum Phase:
1
First Approval:
None
UNII:
19HY34R6UN
Molecule Type:
Small molecule
Molecular Formula:
C24H29N5O3
Molecular Weight:
435.53
AlogP:
4.67
PSA:
94.32
HBD:
2.0
HBA:
#RotB:
7.0
Source:
NAPHTHALENE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
NAPHTHALENE
×
Maximum Phase:
1
First Approval:
None
UNII:
2166IN72UN
Molecule Type:
Small molecule
Molecular Formula:
C10H8
Molecular Weight:
128.17
AlogP:
2.84
PSA:
0.0
HBD:
0.0
HBA:
#RotB:
0.0
Source:
ALPHA-PINENE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
ALPHA-PINENE
×
Maximum Phase:
1
First Approval:
None
UNII:
JPF3YI7O34
Molecule Type:
Small molecule
Molecular Formula:
C10H16
Molecular Weight:
136.24
AlogP:
3.0
PSA:
0.0
HBD:
0.0
HBA:
#RotB:
0.0
Source:
METHYL P-TOLUENESULFONYL-L-ARGININATE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
METHYL P-TOLUENESULFONYL-L-ARGININATE
×
Maximum Phase:
1
First Approval:
None
UNII:
1H7BKF44U1
Molecule Type:
Small molecule
Molecular Formula:
C14H22N4O4S
Molecular Weight:
342.42
AlogP:
-0.13
PSA:
136.87
HBD:
3.0
HBA:
#RotB:
8.0
Source:
POSENACAFTOR
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
POSENACAFTOR
×
Maximum Phase:
1
First Approval:
None
UNII:
BN5UT8I0T9
Molecule Type:
Small molecule
Molecular Formula:
C27H27NO5
Molecular Weight:
445.52
AlogP:
6.16
PSA:
81.79
HBD:
1.0
HBA:
#RotB:
5.0
Source:
CYCLOHEXANE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
CYCLOHEXANE
×
Maximum Phase:
1
First Approval:
None
UNII:
48K5MKG32S
Molecule Type:
Small molecule
Molecular Formula:
C6H12
Molecular Weight:
84.16
AlogP:
2.34
PSA:
0.0
HBD:
0.0
HBA:
#RotB:
0.0
Source:
AST-487
(1)
Small molecule
Tyrosine-protein kinase receptor FLT3 inhibitor
Unknown
Investigational
Unknown
AST-487
×
Maximum Phase:
1
First Approval:
None
UNII:
W34UO2M4T6
Molecule Type:
Small molecule
Molecular Formula:
C26H30F3N7O2
Molecular Weight:
529.57
AlogP:
5.11
PSA:
94.65
HBD:
3.0
HBA:
#RotB:
8.0
Source:
TRICETAMIDE
(1)
Small molecule
Tyrosine-protein kinase JAK1 inhibitor
Unknown
Investigational
Unknown
TRICETAMIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
V6X0RFU7AF
Molecule Type:
Small molecule
Molecular Formula:
C16H24N2O5
Molecular Weight:
324.38
AlogP:
1.31
PSA:
77.1
HBD:
1.0
HBA:
#RotB:
8.0
Source:
BETA-CARYOPHYLLENE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BETA-CARYOPHYLLENE
×
Maximum Phase:
1
First Approval:
None
UNII:
BHW853AU9H
Molecule Type:
Small molecule
Molecular Formula:
C15H24
Molecular Weight:
204.36
AlogP:
4.73
PSA:
0.0
HBD:
0.0
HBA:
#RotB:
0.0
Source:
GUSPERIMUS TRIHYDROCHLORIDE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
GUSPERIMUS TRIHYDROCHLORIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
QZS4144IO0
Molecule Type:
Small molecule
Molecular Formula:
C17H40Cl3N7O3
Molecular Weight:
496.91
AlogP:
-1.31
PSA:
178.38
HBD:
8.0
HBA:
#RotB:
17.0
Source:
RG6029
(1)
Small molecule
Sodium channel protein type IX alpha subunit blocker
Unknown
Investigational
Unknown
RG6029
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
GANTACURIUM CHLORIDE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
GANTACURIUM CHLORIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
LEY8QK99UR
Molecule Type:
Small molecule
Molecular Formula:
C53H69Cl3N2O14
Molecular Weight:
1064.49
AlogP:
7.84
PSA:
144.9
HBD:
0.0
HBA:
#RotB:
23.0
Source:
L-377202
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
L-377202
×
Maximum Phase:
1
First Approval:
None
UNII:
VDXVABRQTV
Molecule Type:
Small molecule
Molecular Formula:
C65H89N9O25
Molecular Weight:
1396.46
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
ONAMETOSTAT
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
ONAMETOSTAT
×
Maximum Phase:
1
First Approval:
None
UNII:
N8VKI8FPW0
Molecule Type:
Small molecule
Molecular Formula:
C22H23BrN6O2
Molecular Weight:
483.37
AlogP:
2.82
PSA:
136.1
HBD:
4.0
HBA:
#RotB:
4.0
Source:
BALAMAPIMOD
(1)
Small molecule
Dual specificity mitogen-activated protein kinase kinase 1 inhibitor
Unknown
Investigational
Unknown
BALAMAPIMOD
×
Maximum Phase:
1
First Approval:
None
UNII:
7Y0IV7N95Q
Molecule Type:
Small molecule
Molecular Formula:
C30H32ClN7OS
Molecular Weight:
574.15
AlogP:
6.46
PSA:
82.24
HBD:
1.0
HBA:
#RotB:
7.0
Source:
L-21649
(1)
Small molecule
Vascular endothelial growth factor receptor inhibitor
Unknown
Investigational
Unknown
L-21649
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
1
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Compound Name
Maximum Phase
Compound Structure
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Molecular Formula
Molecular Weight
ALogP
PSA