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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
KL-1333
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
KL-1333
×
Maximum Phase:
1
First Approval:
None
UNII:
NA2ZOL5UGM
Molecule Type:
Small molecule
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.26
AlogP:
2.58
PSA:
62.82
HBD:
1.0
HBA:
#RotB:
1.0
Source:
ILX23-7553
(1)
Small molecule
Vitamin D receptor agonist
Unknown
Investigational
Unknown
ILX23-7553
×
Maximum Phase:
1
First Approval:
None
UNII:
O13QTC8612
Molecule Type:
Small molecule
Molecular Formula:
C27H38O3
Molecular Weight:
410.6
AlogP:
4.85
PSA:
60.69
HBD:
3.0
HBA:
#RotB:
3.0
Source:
MTI-31
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
MTI-31
×
Maximum Phase:
1
First Approval:
None
UNII:
RM15YYQ1CI
Molecule Type:
Small molecule
Molecular Formula:
C26H30N6O3
Molecular Weight:
474.57
AlogP:
2.64
PSA:
92.71
HBD:
1.0
HBA:
#RotB:
4.0
Source:
LOTRAFILCON A
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
LOTRAFILCON A
×
Maximum Phase:
1
First Approval:
None
UNII:
R9Y7LX2EQT
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
GSK159802
(1)
Small molecule
Beta-2 adrenergic receptor agonist
Unknown
Investigational
Unknown
GSK159802
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
CB-5083
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
CB-5083
×
Maximum Phase:
1
First Approval:
None
UNII:
591IV6UL6J
Molecule Type:
Small molecule
Molecular Formula:
C24H23N5O2
Molecular Weight:
413.48
AlogP:
3.51
PSA:
95.06
HBD:
2.0
HBA:
#RotB:
5.0
Source:
GSK2879552
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
GSK2879552
×
Maximum Phase:
1
First Approval:
None
UNII:
GT77Z6Y09Z
Molecule Type:
Small molecule
Molecular Formula:
C23H28N2O2
Molecular Weight:
364.49
AlogP:
3.74
PSA:
52.57
HBD:
2.0
HBA:
#RotB:
7.0
Source:
QUEMLICLUSTAT
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
QUEMLICLUSTAT
×
Maximum Phase:
1
First Approval:
None
UNII:
J6K8WSV73A
Molecule Type:
Small molecule
Molecular Formula:
C20H24ClFN4O9P2
Molecular Weight:
580.83
AlogP:
2.35
PSA:
196.49
HBD:
6.0
HBA:
#RotB:
9.0
Source:
RG7893
(1)
Small molecule
Sodium channel protein type IX alpha subunit blocker
Unknown
Investigational
Unknown
RG7893
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
VLX-1005
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
VLX-1005
×
Maximum Phase:
1
First Approval:
None
UNII:
JKU4XCC48Y
Molecule Type:
Small molecule
Molecular Formula:
C21H19N3O4S2
Molecular Weight:
441.53
AlogP:
4.42
PSA:
100.55
HBD:
3.0
HBA:
#RotB:
7.0
Source:
ROLUPERIDONE HYDROCHLORIDE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
ROLUPERIDONE HYDROCHLORIDE
×
Maximum Phase:
1
First Approval:
None
UNII:
WFL7TF8DTP
Molecule Type:
Small molecule
Molecular Formula:
C22H28ClFN2O4
Molecular Weight:
438.93
AlogP:
3.38
PSA:
40.62
HBD:
0.0
HBA:
#RotB:
5.0
Source:
OBP-801
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
OBP-801
×
Maximum Phase:
1
First Approval:
None
UNII:
30Q3VS5HZ4
Molecule Type:
Small molecule
Molecular Formula:
C20H31N3O6S2
Molecular Weight:
473.62
AlogP:
0.52
PSA:
133.83
HBD:
4.0
HBA:
#RotB:
1.0
Source:
TEFINOSTAT
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
TEFINOSTAT
×
Maximum Phase:
1
First Approval:
None
UNII:
ZAU91150SB
Molecule Type:
Small molecule
Molecular Formula:
C28H37N3O5
Molecular Weight:
495.62
AlogP:
4.79
PSA:
116.76
HBD:
4.0
HBA:
#RotB:
14.0
Source:
POLYGLYCONATE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
POLYGLYCONATE
×
Maximum Phase:
1
First Approval:
None
UNII:
KOF6AD0GWS
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
TROTABRESIB
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
TROTABRESIB
×
Maximum Phase:
1
First Approval:
None
UNII:
K424WH3WU0
Molecule Type:
Small molecule
Molecular Formula:
C21H21NO4S
Molecular Weight:
383.47
AlogP:
3.4
PSA:
65.37
HBD:
0.0
HBA:
#RotB:
5.0
Source:
D-FLUOROMETHYLTYROSINE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
D-FLUOROMETHYLTYROSINE
×
Maximum Phase:
1
First Approval:
None
UNII:
GSM7N3U4J8
Molecule Type:
Small molecule
Molecular Formula:
C10H12FNO3
Molecular Weight:
213.21
AlogP:
0.95
PSA:
72.55
HBD:
2.0
HBA:
#RotB:
5.0
Source:
AVE-9940
(1)
Small molecule
MAP kinase p38 alpha inhibitor
Unknown
Investigational
Unknown
AVE-9940
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
THELIATINIB
(1)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
Unknown
Investigational
Unknown
THELIATINIB
×
Maximum Phase:
1
First Approval:
None
UNII:
6ZZ3B7NZ0B
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
MK-8245
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
MK-8245
×
Maximum Phase:
1
First Approval:
None
UNII:
537E7QE8LX
Molecule Type:
Small molecule
Molecular Formula:
C17H16BrFN6O4
Molecular Weight:
467.26
AlogP:
2.36
PSA:
119.4
HBD:
1.0
HBA:
#RotB:
6.0
Source:
E-7130
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
E-7130
×
Maximum Phase:
1
First Approval:
None
UNII:
R6WE4X56YH
Molecule Type:
Small molecule
Molecular Formula:
C58H83NO17
Molecular Weight:
1066.29
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
BISTHIANOSTAT
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BISTHIANOSTAT
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
C15H18N4O3S2
Molecular Weight:
366.47
AlogP:
2.55
PSA:
104.21
HBD:
3.0
HBA:
#RotB:
8.0
Source:
SAMARIUM DOTMP
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
SAMARIUM DOTMP
×
Maximum Phase:
1
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
C12H29N4O12P4Sm
Molecular Weight:
695.64
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
FLUOROACETATE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
FLUOROACETATE
×
Maximum Phase:
1
First Approval:
None
UNII:
AP1JV9U41M
Molecule Type:
Small molecule
Molecular Formula:
C2H3FO2
Molecular Weight:
78.04
AlogP:
0.04
PSA:
37.3
HBD:
1.0
HBA:
#RotB:
1.0
Source:
ABEQUOLIXRON
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
ABEQUOLIXRON
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
GALIDESIVIR
(1)
Small molecule
Genome polyprotein inhibitor
Unknown
Investigational
Unknown
GALIDESIVIR
×
Maximum Phase:
1
First Approval:
None
UNII:
OLF97F86A7
Molecule Type:
Small molecule
Molecular Formula:
C11H15N5O3
Molecular Weight:
265.27
AlogP:
-1.73
PSA:
140.31
HBD:
6.0
HBA:
#RotB:
2.0
Source:
VT-1598
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
VT-1598
×
Maximum Phase:
1
First Approval:
None
UNII:
AV9K9X720D
Molecule Type:
Small molecule
Molecular Formula:
C31H20F4N6O2
Molecular Weight:
584.53
AlogP:
4.88
PSA:
109.74
HBD:
1.0
HBA:
#RotB:
8.0
Source:
FENOBAM
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
FENOBAM
×
Maximum Phase:
1
First Approval:
None
UNII:
078RCY7I27
Molecule Type:
Small molecule
Molecular Formula:
C11H11ClN4O2
Molecular Weight:
266.69
AlogP:
1.29
PSA:
73.8
HBD:
2.0
HBA:
#RotB:
1.0
Source:
GS 6201
(1)
Small molecule
Adenosine A2b receptor antagonist
Unknown
Investigational
Unknown
GS 6201
×
Maximum Phase:
1
First Approval:
None
UNII:
67CKV7X08G
Molecule Type:
Small molecule
Molecular Formula:
C21H21F3N6O2
Molecular Weight:
446.43
AlogP:
3.25
PSA:
90.5
HBD:
1.0
HBA:
#RotB:
6.0
Source:
CALANOLIDE A
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
CALANOLIDE A
×
Maximum Phase:
1
First Approval:
None
UNII:
S5A9TQN46W
Molecule Type:
Small molecule
Molecular Formula:
C22H26O5
Molecular Weight:
370.45
AlogP:
4.38
PSA:
68.9
HBD:
1.0
HBA:
#RotB:
2.0
Source:
MIRODENAFIL
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
MIRODENAFIL
×
Maximum Phase:
1
First Approval:
None
UNII:
504G362H0H
Molecule Type:
Small molecule
Molecular Formula:
C26H37N5O5S
Molecular Weight:
531.68
AlogP:
2.45
PSA:
120.76
HBD:
2.0
HBA:
#RotB:
11.0
Source:
TAS-115
(1)
Small molecule
Hepatocyte growth factor receptor inhibitor
Unknown
Investigational
Unknown
TAS-115
×
Maximum Phase:
1
First Approval:
None
UNII:
H2OL3Q4XRD
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
MGS-0210
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
MGS-0210
×
Maximum Phase:
1
First Approval:
None
UNII:
12XH8EKL2A
Molecule Type:
Small molecule
Molecular Formula:
C22H28Cl2FNO5
Molecular Weight:
476.37
AlogP:
4.53
PSA:
98.85
HBD:
2.0
HBA:
#RotB:
11.0
Source:
AZD-8075
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
AZD-8075
×
Maximum Phase:
1
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
LEQ506
(1)
Small molecule
Smoothened homolog antagonist
Unknown
Investigational
Unknown
LEQ506
×
Maximum Phase:
1
First Approval:
None
UNII:
6SJX1T5HJD
Molecule Type:
Small molecule
Molecular Formula:
C25H32N6O
Molecular Weight:
432.57
AlogP:
3.42
PSA:
78.27
HBD:
1.0
HBA:
#RotB:
5.0
Source:
BILB-1941
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
BILB-1941
×
Maximum Phase:
1
First Approval:
None
UNII:
3WV68DY85W
Molecule Type:
Small molecule
Molecular Formula:
C34H34N4O4
Molecular Weight:
562.67
AlogP:
6.29
PSA:
113.32
HBD:
3.0
HBA:
#RotB:
8.0
Source:
ETACONAZOLE
(1)
Small molecule
Unknown
Unknown
Investigational
Unknown
ETACONAZOLE
×
Maximum Phase:
1
First Approval:
None
UNII:
3MT15AE9VG
Molecule Type:
Small molecule
Molecular Formula:
C14H15Cl2N3O2
Molecular Weight:
328.2
AlogP:
3.26
PSA:
49.17
HBD:
0.0
HBA:
#RotB:
4.0
Source:
1
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126
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Compound Name
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Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA