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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
PARENT OF TAS-303
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
PARENT OF TAS-303
×
Maximum Phase:
2
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
OXFENDAZOLE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
OXFENDAZOLE
×
Maximum Phase:
2
First Approval:
None
UNII:
OMP2H17F9E
Molecule Type:
Small molecule
Molecular Formula:
C15H13N3O3S
Molecular Weight:
315.35
AlogP:
2.91
PSA:
84.08
HBD:
2.0
HBA:
#RotB:
3.0
Source:
HEMOGLOBIN RAFFIMER
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
HEMOGLOBIN RAFFIMER
×
Maximum Phase:
2
First Approval:
None
UNII:
69HRT16MGP
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
SAPITINIB
(2)
Small molecule
Epidermal growth factor receptor erbB1 inhibitor
Unknown
Investigational
Unknown
SAPITINIB
×
Maximum Phase:
2
First Approval:
None
UNII:
3499328002
Molecule Type:
Small molecule
Molecular Formula:
C23H25ClFN5O3
Molecular Weight:
473.94
AlogP:
3.76
PSA:
88.61
HBD:
2.0
HBA:
#RotB:
7.0
Source:
TALADEGIB
(2)
Small molecule
Smoothened homolog antagonist
Unknown
Investigational
Unknown
TALADEGIB
×
Maximum Phase:
2
First Approval:
None
UNII:
QY8BWX1LJ5
Molecule Type:
Small molecule
Molecular Formula:
C26H24F4N6O
Molecular Weight:
512.51
AlogP:
4.93
PSA:
67.15
HBD:
0.0
HBA:
#RotB:
4.0
Source:
PH-797804
(2)
Small molecule
MAP kinase p38 alpha inhibitor
Unknown
Investigational
Unknown
PH-797804
×
Maximum Phase:
2
First Approval:
None
UNII:
GEL7GRJ3R6
Molecule Type:
Small molecule
Molecular Formula:
C22H19BrF2N2O3
Molecular Weight:
477.31
AlogP:
4.43
PSA:
60.33
HBD:
1.0
HBA:
#RotB:
5.0
Source:
VAMOROLONE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
VAMOROLONE
×
Maximum Phase:
2
First Approval:
None
UNII:
8XP29XMB43
Molecule Type:
Small molecule
Molecular Formula:
C23H30O3
Molecular Weight:
354.49
AlogP:
4.17
PSA:
54.37
HBD:
1.0
HBA:
#RotB:
2.0
Source:
TIDEGLUSIB
(2)
Small molecule
Glycogen synthase kinase-3 beta inhibitor
Unknown
Investigational
Unknown
TIDEGLUSIB
×
Maximum Phase:
2
First Approval:
None
UNII:
Q747Y6TT42
Molecule Type:
Small molecule
Molecular Formula:
C19H14N2O2S
Molecular Weight:
334.4
AlogP:
3.26
PSA:
44.0
HBD:
0.0
HBA:
#RotB:
3.0
Source:
SUVN-G3031
(2)
Small molecule
Histamine H3 receptor inverse agonist
Unknown
Investigational
Unknown
SUVN-G3031
×
Maximum Phase:
2
First Approval:
None
UNII:
65V47O9NOP
Molecule Type:
Small molecule
Molecular Formula:
C21H31N3O3
Molecular Weight:
373.5
AlogP:
2.35
PSA:
54.04
HBD:
1.0
HBA:
#RotB:
6.0
Source:
HYMECROMONE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
HYMECROMONE
×
Maximum Phase:
2
First Approval:
None
UNII:
3T5NG4Q468
Molecule Type:
Small molecule
Molecular Formula:
C10H8O3
Molecular Weight:
176.17
AlogP:
1.81
PSA:
50.44
HBD:
1.0
HBA:
#RotB:
0.0
Source:
AZASETRON
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
AZASETRON
×
Maximum Phase:
2
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
SOBLIDOTIN
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
SOBLIDOTIN
×
Maximum Phase:
2
First Approval:
None
UNII:
DQC51A0WQH
Molecule Type:
Small molecule
Molecular Formula:
C39H67N5O6
Molecular Weight:
701.99
AlogP:
3.99
PSA:
120.52
HBD:
2.0
HBA:
#RotB:
20.0
Source:
GW501516
(2)
Small molecule
Peroxisome proliferator-activated receptor delta agonist
Unknown
Approved
Unknown
GW501516
×
Maximum Phase:
2
First Approval:
None
UNII:
7I2HA1NU22
Molecule Type:
Small molecule
Molecular Formula:
C21H18F3NO3S2
Molecular Weight:
453.51
AlogP:
6.2
PSA:
59.42
HBD:
1.0
HBA:
#RotB:
7.0
Source:
EVODENOSON
(2)
Small molecule
Adenosine A2a receptor agonist
Unknown
Investigational
Unknown
EVODENOSON
×
Maximum Phase:
2
First Approval:
None
UNII:
HZ03U10J2Z
Molecule Type:
Small molecule
Molecular Formula:
C23H29N7O6
Molecular Weight:
499.53
AlogP:
-0.47
PSA:
177.95
HBD:
4.0
HBA:
#RotB:
4.0
Source:
DEFACTINIB
(2)
Small molecule
Focal adhesion kinase 1 inhibitor
Unknown
Investigational
Unknown
DEFACTINIB
×
Maximum Phase:
2
First Approval:
None
UNII:
53O87HA2QU
Molecule Type:
Small molecule
Molecular Formula:
C20H21F3N8O3S
Molecular Weight:
510.5
AlogP:
2.4
PSA:
142.1
HBD:
3.0
HBA:
#RotB:
8.0
Source:
PF-06291874
(2)
Small molecule
Glucagon receptor antagonist
Unknown
Investigational
Unknown
PF-06291874
×
Maximum Phase:
2
First Approval:
None
UNII:
CGY4I8F278
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
NBI-921352
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
NBI-921352
×
Maximum Phase:
2
First Approval:
None
UNII:
SV2WPA4R4J
Molecule Type:
Small molecule
Molecular Formula:
C22H25FN4O2S2
Molecular Weight:
460.6
AlogP:
4.1
PSA:
65.54
HBD:
1.0
HBA:
#RotB:
7.0
Source:
AR9281
(2)
Small molecule
Epoxide hydratase inhibitor
Unknown
Investigational
Unknown
AR9281
×
Maximum Phase:
2
First Approval:
None
UNII:
4HA03Q8EZ9
Molecule Type:
Small molecule
Molecular Formula:
C18H29N3O2
Molecular Weight:
319.45
AlogP:
2.27
PSA:
61.44
HBD:
2.0
HBA:
#RotB:
2.0
Source:
PIBOSEROD
(2)
Small molecule
Serotonin 4 (5-HT4) receptor antagonist
Unknown
Investigational
Unknown
PIBOSEROD
×
Maximum Phase:
2
First Approval:
None
UNII:
4UQ3S81B25
Molecule Type:
Small molecule
Molecular Formula:
C22H31N3O2
Molecular Weight:
369.51
AlogP:
3.67
PSA:
46.5
HBD:
1.0
HBA:
#RotB:
6.0
Source:
PF-00217830
(2)
Small molecule
Dopamine D2 receptor partial agonist
Unknown
Investigational
Unknown
PF-00217830
×
Maximum Phase:
2
First Approval:
None
UNII:
8BC08N1MS5
Molecule Type:
Small molecule
Molecular Formula:
C26H30N4O2
Molecular Weight:
430.55
AlogP:
4.1
PSA:
57.7
HBD:
1.0
HBA:
#RotB:
7.0
Source:
NAFITHROMYCIN
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
NAFITHROMYCIN
×
Maximum Phase:
2
First Approval:
None
UNII:
75F74Y2R70
Molecule Type:
Small molecule
Molecular Formula:
C42H62N6O11S
Molecular Weight:
859.06
AlogP:
4.12
PSA:
224.18
HBD:
2.0
HBA:
#RotB:
10.0
Source:
ELISMETREP
(2)
Small molecule
Transient receptor potential cation channel subfamily M member 8 inhibitor
Unknown
Investigational
Unknown
ELISMETREP
×
Maximum Phase:
2
First Approval:
None
UNII:
KIB8V5UR7D
Molecule Type:
Small molecule
Molecular Formula:
C27H21F3N2O5S
Molecular Weight:
542.53
AlogP:
6.1
PSA:
96.8
HBD:
1.0
HBA:
#RotB:
8.0
Source:
UBENIMEX
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
UBENIMEX
×
Maximum Phase:
2
First Approval:
None
UNII:
I0J33N5627
Molecule Type:
Small molecule
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.38
AlogP:
0.53
PSA:
112.65
HBD:
4.0
HBA:
#RotB:
8.0
Source:
FIRTECAN PEGOL
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
FIRTECAN PEGOL
×
Maximum Phase:
2
First Approval:
None
UNII:
WC4978T687
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
MGB-BP-3
(2)
Small molecule
DNA binding agent
Unknown
Investigational
Unknown
MGB-BP-3
×
Maximum Phase:
2
First Approval:
None
UNII:
532PWU9738
Molecule Type:
Small molecule
Molecular Formula:
C36H37N7O4
Molecular Weight:
631.74
AlogP:
4.65
PSA:
122.52
HBD:
3.0
HBA:
#RotB:
10.0
Source:
TALAROZOLE
(2)
Small molecule
Cytochrome P450 26A1 inhibitor
Unknown
Investigational
Unknown
TALAROZOLE
×
Maximum Phase:
2
First Approval:
None
UNII:
XKD9N5CJ6W
Molecule Type:
Small molecule
Molecular Formula:
C21H23N5S
Molecular Weight:
377.52
AlogP:
5.66
PSA:
55.63
HBD:
1.0
HBA:
#RotB:
7.0
Source:
GALICAFTOR
(2)
Small molecule
Cystic fibrosis transmembrane conductance regulator positive modulator
Unknown
Investigational
Unknown
GALICAFTOR
×
Maximum Phase:
2
First Approval:
None
UNII:
J0IIT8QSQS
Molecule Type:
Small molecule
Molecular Formula:
C28H21F4NO7
Molecular Weight:
559.47
AlogP:
5.72
PSA:
103.32
HBD:
2.0
HBA:
#RotB:
7.0
Source:
LAVOLTIDINE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
LAVOLTIDINE
×
Maximum Phase:
2
First Approval:
None
UNII:
X16K5179V5
Molecule Type:
Small molecule
Molecular Formula:
C19H29N5O2
Molecular Weight:
359.47
AlogP:
2.17
PSA:
75.44
HBD:
2.0
HBA:
#RotB:
9.0
Source:
BREQUINAR
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
BREQUINAR
×
Maximum Phase:
2
First Approval:
None
UNII:
5XL19F49H6
Molecule Type:
Small molecule
Molecular Formula:
C23H15F2NO2
Molecular Weight:
375.37
AlogP:
5.85
PSA:
50.19
HBD:
1.0
HBA:
#RotB:
3.0
Source:
DIAZOXIDE CHOLINE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
DIAZOXIDE CHOLINE
×
Maximum Phase:
2
First Approval:
None
UNII:
2U8NRZ7P8L
Molecule Type:
Small molecule
Molecular Formula:
C13H20ClN3O3S
Molecular Weight:
333.84
AlogP:
1.87
PSA:
58.53
HBD:
1.0
HBA:
#RotB:
0.0
Source:
L-THREONIC ACID
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
L-THREONIC ACID
×
Maximum Phase:
2
First Approval:
None
UNII:
75B0PMW2JF
Molecule Type:
Small molecule
Molecular Formula:
C4H8O5
Molecular Weight:
136.1
AlogP:
-2.21
PSA:
97.99
HBD:
4.0
HBA:
#RotB:
3.0
Source:
BX 471 FREE BASE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
BX 471 FREE BASE
×
Maximum Phase:
2
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
PADNARSERTIB
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
PADNARSERTIB
×
Maximum Phase:
2
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
MK-0941
(2)
Small molecule
Hexokinase type IV activator
Unknown
Investigational
Unknown
MK-0941
×
Maximum Phase:
2
First Approval:
None
UNII:
YZ1L3KR377
Molecule Type:
Small molecule
Molecular Formula:
C22H28N4O9S2
Molecular Weight:
556.62
AlogP:
2.41
PSA:
132.64
HBD:
2.0
HBA:
#RotB:
9.0
Source:
20-HYDROXYECDYSONE
(2)
Small molecule
Unknown
Unknown
Investigational
Unknown
20-HYDROXYECDYSONE
×
Maximum Phase:
2
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
UK-500001
(2)
Small molecule
Phosphodiesterase isozyme 4 inhibitor
Unknown
Investigational
Unknown
UK-500001
×
Maximum Phase:
2
First Approval:
None
UNII:
YOG0PR3Q8J
Molecule Type:
Small molecule
Molecular Formula:
C26H24F3N3O4
Molecular Weight:
499.49
AlogP:
4.78
PSA:
100.55
HBD:
3.0
HBA:
#RotB:
6.0
Source:
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Compound Name
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Compound Structure
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Inchi
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Compound Properties
Molecular Formula
Molecular Weight
ALogP
PSA