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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
SNS-314
(1)
Small molecule
Serine/threonine-protein kinase Aurora inhibitor
Unknown
Investigational
Unknown
SNS-314
×
Maximum Phase:
1
First Approval:
None
UNII:
802IFJ0Z8X
Molecule Type:
Small molecule
Molecular Formula:
C18H15ClN6OS2
Molecular Weight:
430.95
AlogP:
4.52
PSA:
95.06
HBD:
3.0
HBA:
#RotB:
5.0
Source:
PROPYL GALLATE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
PROPYL GALLATE
×
Maximum Phase:
1
First Approval:
None
UNII:
8D4SNN7V92
Molecule Type:
Small molecule
Molecular Formula:
C10H12O5
Molecular Weight:
212.2
AlogP:
1.37
PSA:
86.99
HBD:
3.0
HBA:
#RotB:
3.0
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:
ROCACETRAPIB
(1)
Small molecule
Cholesteryl ester transfer protein inhibitor
Unknown
Investigational
Unknown
ROCACETRAPIB
×
Maximum Phase:
1
First Approval:
None
UNII:
K9SP3L3YQP
Molecule Type:
Small molecule
Molecular Formula:
C31H34F7NO3
Molecular Weight:
601.6
AlogP:
9.54
PSA:
38.77
HBD:
0.0
HBA:
#RotB:
6.0
Source:
TCD-717
(1)
Small molecule
Choline kinase alpha inhibitor
Unknown
Investigational
Unknown
TCD-717
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
SIBOFIMLOC
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
SIBOFIMLOC
×
Maximum Phase:
1
First Approval:
None
UNII:
00OF00QZC4
Molecule Type:
Small molecule
Molecular Formula:
C35H39NO11
Molecular Weight:
649.69
AlogP:
-2.02
PSA:
200.61
HBD:
8.0
HBA:
#RotB:
2.0
Source:
LY2881835
(1)
Small molecule
Free fatty acid receptor 1 agonist
Unknown
Investigational
Unknown
LY2881835
×
Maximum Phase:
1
First Approval:
None
UNII:
LAD0ZG7FFO
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
VEVORISERTIB
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
VEVORISERTIB
×
Maximum Phase:
1
First Approval:
None
UNII:
V6SX910Y31
Molecule Type:
Small molecule
Molecular Formula:
C35H38N8O
Molecular Weight:
586.74
AlogP:
5.52
PSA:
119.19
HBD:
2.0
HBA:
#RotB:
6.0
Source:
COMBRETASTATIN
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
COMBRETASTATIN
×
Maximum Phase:
1
First Approval:
None
UNII:
7O62J06F18
Molecule Type:
Small molecule
Molecular Formula:
C18H22O6
Molecular Weight:
334.37
AlogP:
2.7
PSA:
77.38
HBD:
2.0
HBA:
#RotB:
7.0
Source:
TAS-116
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
TAS-116
×
Maximum Phase:
1
First Approval:
None
UNII:
PLO044MUDZ
Molecule Type:
Small molecule
Molecular Formula:
C25H26N8O
Molecular Weight:
454.54
AlogP:
3.79
PSA:
109.44
HBD:
1.0
HBA:
#RotB:
6.0
Source:
UAB-30
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
UAB-30
×
Maximum Phase:
1
First Approval:
None
UNII:
PFP09575EX
Molecule Type:
Small molecule
Molecular Formula:
C20H22O2
Molecular Weight:
294.39
AlogP:
4.94
PSA:
37.3
HBD:
1.0
HBA:
#RotB:
4.0
Source:
KX2-361
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
KX2-361
×
Maximum Phase:
1
First Approval:
None
UNII:
RVW387BA9U
Molecule Type:
Small molecule
Molecular Formula:
C24H24FN3O2
Molecular Weight:
405.47
AlogP:
3.58
PSA:
54.46
HBD:
1.0
HBA:
#RotB:
6.0
Source:
BMS-986202
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BMS-986202
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
PF-04995274
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
PF-04995274
×
Maximum Phase:
1
First Approval:
None
UNII:
XI179PG9LV
Molecule Type:
Small molecule
Molecular Formula:
C23H32N2O6
Molecular Weight:
432.52
AlogP:
2.63
PSA:
86.42
HBD:
1.0
HBA:
#RotB:
7.0
Source:
GSK-625433
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
GSK-625433
×
Maximum Phase:
1
First Approval:
None
UNII:
2YAD6KT0NT
Molecule Type:
Small molecule
Molecular Formula:
C26H32N4O5S
Molecular Weight:
512.63
AlogP:
4.02
PSA:
106.78
HBD:
1.0
HBA:
#RotB:
8.0
Source:
RESOLVIN E1
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
RESOLVIN E1
×
Maximum Phase:
1
First Approval:
None
UNII:
GND3JH08JA
Molecule Type:
Small molecule
Molecular Formula:
C20H30O5
Molecular Weight:
350.46
AlogP:
2.91
PSA:
97.99
HBD:
4.0
HBA:
#RotB:
13.0
Source:
TT-301
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
TT-301
×
Maximum Phase:
1
First Approval:
None
UNII:
CY416F5NSK
Molecule Type:
Small molecule
Molecular Formula:
C23H21N7
Molecular Weight:
395.47
AlogP:
3.32
PSA:
70.93
HBD:
0.0
HBA:
#RotB:
4.0
Source:
ELIMUSERTIB
(1)
Small molecule
Serine-protein kinase ATR inhibitor
Unknown
Investigational
Unknown
ELIMUSERTIB
×
Maximum Phase:
1
First Approval:
None
UNII:
7N13IK9LNH
Molecule Type:
Small molecule
Molecular Formula:
C20H21N7O
Molecular Weight:
375.44
AlogP:
2.65
PSA:
84.75
HBD:
1.0
HBA:
#RotB:
3.0
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:
BI-853520
(1)
Small molecule
Focal adhesion kinase 1 inhibitor
Unknown
Investigational
Unknown
BI-853520
×
Maximum Phase:
1
First Approval:
None
UNII:
C57O858DKU
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
PIMASERTIB HYDROCHLORIDE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
PIMASERTIB HYDROCHLORIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
6GS1ULF5HV
Molecule Type:
Small molecule
Molecular Formula:
C15H16ClFIN3O3
Molecular Weight:
467.67
AlogP:
1.65
PSA:
94.48
HBD:
4.0
HBA:
#RotB:
6.0
Source:
GSK1482160
(1)
Small molecule
P2X purinoceptor 7 negative allosteric modulator
Unknown
Investigational
Unknown
GSK1482160
×
Maximum Phase:
1
First Approval:
None
UNII:
T1V3OH20HG
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
PLX-51107
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
PLX-51107
×
Maximum Phase:
1
First Approval:
None
UNII:
W758F1L9ND
Molecule Type:
Small molecule
Molecular Formula:
C26H22N4O3
Molecular Weight:
438.49
AlogP:
5.68
PSA:
94.04
HBD:
1.0
HBA:
#RotB:
5.0
Source:
RAVUCONAZOLE
(1)
Small molecule
Cytochrome P450 51 inhibitor
Unknown
Investigational
Unknown
RAVUCONAZOLE
×
Maximum Phase:
1
First Approval:
None
UNII:
95YH599JWV
Molecule Type:
Small molecule
Molecular Formula:
C22H17F2N5OS
Molecular Weight:
437.48
AlogP:
4.24
PSA:
87.62
HBD:
1.0
HBA:
#RotB:
6.0
Source:
SIMOTAXEL
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
SIMOTAXEL
×
Maximum Phase:
1
First Approval:
None
UNII:
E1M30YOE59
Molecule Type:
Small molecule
Molecular Formula:
C46H57NO15S
Molecular Weight:
896.02
AlogP:
4.67
PSA:
230.52
HBD:
4.0
HBA:
#RotB:
11.0
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:
ASP-2205
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
ASP-2205
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
TAS0612
(1)
Small molecule
Ribosomal protein S6 kinase (P70S6K) inhibitor
Unknown
Investigational
Unknown
TAS0612
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
C28H36F3N9O
Molecular Weight:
571.65
AlogP:
4.4
PSA:
119.79
HBD:
3.0
HBA:
#RotB:
7.0
Source:
NORLEUCINE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
NORLEUCINE
×
Maximum Phase:
1
First Approval:
None
UNII:
832C8OV84S
Molecule Type:
Small molecule
Molecular Formula:
C6H13NO2
Molecular Weight:
131.18
AlogP:
0.59
PSA:
63.32
HBD:
2.0
HBA:
#RotB:
4.0
Source:
IOFLUBENZAMIDE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
IOFLUBENZAMIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
MKF8K5KWLJ
Molecule Type:
Small molecule
Molecular Formula:
C21H25FIN3O3
Molecular Weight:
513.35
AlogP:
3.76
PSA:
70.67
HBD:
2.0
HBA:
#RotB:
9.0
Source:
PF-06282999
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
PF-06282999
×
Maximum Phase:
1
First Approval:
None
UNII:
YO3O4Q2NC8
Molecule Type:
Small molecule
Molecular Formula:
C13H12ClN3O3S
Molecular Weight:
325.78
AlogP:
1.72
PSA:
90.11
HBD:
2.0
HBA:
#RotB:
4.0
Source:
OCHROMYCINONE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
OCHROMYCINONE
×
Maximum Phase:
1
First Approval:
None
UNII:
CKZ6P7I25M
Molecule Type:
Small molecule
Molecular Formula:
C19H14O4
Molecular Weight:
306.32
AlogP:
2.93
PSA:
71.44
HBD:
1.0
HBA:
#RotB:
0.0
Source:
IOFOLASTAT
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
IOFOLASTAT
×
Maximum Phase:
1
First Approval:
None
UNII:
9T6EBU5ER1
Molecule Type:
Small molecule
Molecular Formula:
C19H26IN3O7
Molecular Weight:
535.34
AlogP:
1.62
PSA:
165.06
HBD:
6.0
HBA:
#RotB:
14.0
Source:
AZD-4316
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
AZD-4316
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
BMS-188797
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BMS-188797
×
Maximum Phase:
1
First Approval:
None
UNII:
0HG7S0S581
Molecule Type:
Small molecule
Molecular Formula:
C47H51NO15
Molecular Weight:
869.92
AlogP:
3.96
PSA:
230.52
HBD:
4.0
HBA:
#RotB:
10.0
Source:
1
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Molecular Formula
Molecular Weight
ALogP
PSA