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Display Options:
Molecule Type
Mechanism of Action
Route of Adminstration
Status
Therapeutic Indication
Number of compounds:
7959
HEMAY-022
(3)
Small molecule
Receptor protein-tyrosine kinase erbB-2 inhibitor
Unknown
Investigational
Unknown
HEMAY-022
×
Maximum Phase:
3
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
CANERTINIB
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
CANERTINIB
×
Maximum Phase:
3
First Approval:
None
UNII:
C78W1K5ASF
Molecule Type:
Small molecule
Molecular Formula:
C24H25ClFN5O3
Molecular Weight:
485.95
AlogP:
4.39
PSA:
88.61
HBD:
2.0
HBA:
#RotB:
9.0
Source:
BELOTECAN
(3)
Small molecule
DNA topoisomerase I inhibitor
Unknown
Investigational
Unknown
BELOTECAN
×
Maximum Phase:
3
First Approval:
None
UNII:
27Z82M2G1N
Molecule Type:
Small molecule
Molecular Formula:
C25H27N3O4
Molecular Weight:
433.51
AlogP:
2.62
PSA:
93.45
HBD:
2.0
HBA:
#RotB:
5.0
Source:
ECABET
(3)
Small molecule
Unknown
Unknown
Approved
Unknown
ECABET
×
Maximum Phase:
3
First Approval:
None
UNII:
2K02669KWP
Molecule Type:
Small molecule
Molecular Formula:
C20H28O5S
Molecular Weight:
380.51
AlogP:
4.15
PSA:
91.67
HBD:
2.0
HBA:
#RotB:
3.0
Source:
SOLITHROMYCIN
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
SOLITHROMYCIN
×
Maximum Phase:
3
First Approval:
None
UNII:
9U1ETH79CK
Molecule Type:
Small molecule
Molecular Formula:
C43H65FN6O10
Molecular Weight:
845.02
AlogP:
4.6
PSA:
197.87
HBD:
2.0
HBA:
#RotB:
11.0
Source:
CYTISINICLINE
(3)
Small molecule
Neuronal acetylcholine receptor; alpha4/beta2 partial agonist
Unknown
Investigational
Unknown
CYTISINICLINE
×
Maximum Phase:
3
First Approval:
None
UNII:
53S5U404NU
Molecule Type:
Small molecule
Molecular Formula:
C11H14N2O
Molecular Weight:
190.25
AlogP:
0.55
PSA:
34.03
HBD:
1.0
HBA:
#RotB:
0.0
Source:
AUMOLERTINIB
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
AUMOLERTINIB
×
Maximum Phase:
3
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
TACEDINALINE
(3)
Small molecule
Histone deacetylase inhibitor
Unknown
Investigational
Unknown
TACEDINALINE
×
Maximum Phase:
3
First Approval:
None
UNII:
UMF554N5FG
Molecule Type:
Small molecule
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.3
AlogP:
2.48
PSA:
84.22
HBD:
3.0
HBA:
#RotB:
3.0
Source:
FIBOFLAPON
(3)
Small molecule
5-lipoxygenase activating protein inhibitor
Unknown
Investigational
Unknown
FIBOFLAPON
×
Maximum Phase:
3
First Approval:
None
UNII:
Y1NA96IX3T
Molecule Type:
Small molecule
Molecular Formula:
C38H43N3O4S
Molecular Weight:
637.85
AlogP:
8.98
PSA:
86.47
HBD:
1.0
HBA:
#RotB:
12.0
Source:
TROXERUTIN
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
TROXERUTIN
×
Maximum Phase:
3
First Approval:
None
UNII:
7Y4N11PXO8
Molecule Type:
Small molecule
Molecular Formula:
C33H42O19
Molecular Weight:
742.68
AlogP:
-2.69
PSA:
297.12
HBD:
10.0
HBA:
#RotB:
15.0
Source:
RELDESEMTIV
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
RELDESEMTIV
×
Maximum Phase:
3
First Approval:
None
UNII:
4S0HBYW6QE
Molecule Type:
Small molecule
Molecular Formula:
C19H18F2N6O
Molecular Weight:
384.39
AlogP:
2.38
PSA:
98.72
HBD:
2.0
HBA:
#RotB:
6.0
Source:
TALABOSTAT
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
TALABOSTAT
×
Maximum Phase:
3
First Approval:
None
UNII:
KZ1O2SH88Z
Molecule Type:
Small molecule
Molecular Formula:
C9H19BN2O3
Molecular Weight:
214.07
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
DBPR-108
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
DBPR-108
×
Maximum Phase:
3
First Approval:
None
UNII:
E329HG23ZT
Molecule Type:
Small molecule
Molecular Formula:
C16H25FN4O2
Molecular Weight:
324.4
AlogP:
0.83
PSA:
76.44
HBD:
1.0
HBA:
#RotB:
5.0
Source:
ESREBOXETINE
(3)
Small molecule
Norepinephrine transporter inhibitor
Unknown
Investigational
Unknown
ESREBOXETINE
×
Maximum Phase:
3
First Approval:
None
UNII:
L8S50ZY490
Molecule Type:
Small molecule
Molecular Formula:
C19H23NO3
Molecular Weight:
313.4
AlogP:
3.19
PSA:
39.72
HBD:
1.0
HBA:
#RotB:
6.0
Source:
ALDOXORUBICIN
(3)
Small molecule
DNA topoisomerase II alpha inhibitor
Unknown
Investigational
Unknown
ALDOXORUBICIN
×
Maximum Phase:
3
First Approval:
None
UNII:
C28MV4IM0B
Molecule Type:
Small molecule
Molecular Formula:
C37H42N4O13
Molecular Weight:
750.76
AlogP:
0.39
PSA:
267.84
HBD:
7.0
HBA:
#RotB:
12.0
Source:
TIRILAZAD
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
TIRILAZAD
×
Maximum Phase:
3
First Approval:
None
UNII:
YD064E883I
Molecule Type:
Small molecule
Molecular Formula:
C38H52N6O2
Molecular Weight:
624.87
AlogP:
5.46
PSA:
72.88
HBD:
0.0
HBA:
#RotB:
6.0
Source:
CHLORPROGUANIL
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
CHLORPROGUANIL
×
Maximum Phase:
3
First Approval:
None
UNII:
8O3249M729
Molecule Type:
Small molecule
Molecular Formula:
C11H15Cl2N5
Molecular Weight:
288.18
AlogP:
2.86
PSA:
83.79
HBD:
5.0
HBA:
#RotB:
2.0
Source:
ROLUPERIDONE
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
ROLUPERIDONE
×
Maximum Phase:
3
First Approval:
None
UNII:
4P31I0M3BF
Molecule Type:
Small molecule
Molecular Formula:
C22H23FN2O2
Molecular Weight:
366.44
AlogP:
3.38
PSA:
40.62
HBD:
0.0
HBA:
#RotB:
5.0
Source:
AVOSENTAN
(3)
Small molecule
Endothelin receptor ET-A antagonist
Unknown
Investigational
Unknown
AVOSENTAN
×
Maximum Phase:
3
First Approval:
None
UNII:
L94KSX715K
Molecule Type:
Small molecule
Molecular Formula:
C23H21N5O5S
Molecular Weight:
479.52
AlogP:
3.85
PSA:
125.42
HBD:
1.0
HBA:
#RotB:
8.0
Source:
CO-TRIMOXAZOLE
(3)
Small molecule
Bacterial dihydrofolate reductase inhibitor
Unknown
Investigational
Unknown
CO-TRIMOXAZOLE
×
Maximum Phase:
3
First Approval:
None
UNII:
None
Molecule Type:
Small molecule
Molecular Formula:
C25H30N6O6S
Molecular Weight:
542.62
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
GUAIACOL
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
GUAIACOL
×
Maximum Phase:
3
First Approval:
None
UNII:
6JKA7MAH9C
Molecule Type:
Small molecule
Molecular Formula:
C7H8O2
Molecular Weight:
124.14
AlogP:
1.4
PSA:
29.46
HBD:
1.0
HBA:
#RotB:
1.0
Source:
DANOPREVIR
(3)
Small molecule
Hepatitis C virus serine protease, NS3/NS4A inhibitor
Unknown
Investigational
Unknown
DANOPREVIR
×
Maximum Phase:
3
First Approval:
None
UNII:
911Z9PCQ5F
Molecule Type:
Small molecule
Molecular Formula:
C35H46FN5O9S
Molecular Weight:
731.84
AlogP:
3.14
PSA:
180.52
HBD:
3.0
HBA:
#RotB:
5.0
Source:
CAMIZESTRANT
(3)
Small molecule
Estrogen receptor alpha degrader
Unknown
Investigational
Unknown
CAMIZESTRANT
×
Maximum Phase:
3
First Approval:
None
UNII:
JUP57A8EPZ
Molecule Type:
Small molecule
Molecular Formula:
C24H28F4N6
Molecular Weight:
476.52
AlogP:
4.31
PSA:
60.08
HBD:
2.0
HBA:
#RotB:
7.0
Source:
ERITORAN
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
ERITORAN
×
Maximum Phase:
3
First Approval:
None
UNII:
551541VI0Y
Molecule Type:
Small molecule
Molecular Formula:
C66H126N2O19P2
Molecular Weight:
1313.68
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
ASPARTAME
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
ASPARTAME
×
Maximum Phase:
3
First Approval:
None
UNII:
Z0H242BBR1
Molecule Type:
Small molecule
Molecular Formula:
C14H18N2O5
Molecular Weight:
294.31
AlogP:
-0.31
PSA:
118.72
HBD:
3.0
HBA:
#RotB:
7.0
Source:
ANTIMONY
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
ANTIMONY
×
Maximum Phase:
3
First Approval:
None
UNII:
9IT35J3UV3
Molecule Type:
Small molecule
Molecular Formula:
Sb
Molecular Weight:
121.76
AlogP:
None
PSA:
None
HBD:
None
HBA:
#RotB:
None
Source:
CILOFEXOR
(3)
Small molecule
Bile acid receptor FXR agonist
Unknown
Investigational
Unknown
CILOFEXOR
×
Maximum Phase:
3
First Approval:
None
UNII:
YUN2306954
Molecule Type:
Small molecule
Molecular Formula:
C28H22Cl3N3O5
Molecular Weight:
586.86
AlogP:
6.56
PSA:
108.92
HBD:
2.0
HBA:
#RotB:
8.0
Source:
SARIZOTAN
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
SARIZOTAN
×
Maximum Phase:
3
First Approval:
None
UNII:
467LU0UCUW
Molecule Type:
Small molecule
Molecular Formula:
C22H21FN2O
Molecular Weight:
348.42
AlogP:
4.37
PSA:
34.15
HBD:
1.0
HBA:
#RotB:
5.0
Source:
PORFIROMYCIN
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
PORFIROMYCIN
×
Maximum Phase:
3
First Approval:
None
UNII:
H1WK901OA6
Molecule Type:
Small molecule
Molecular Formula:
C16H20N4O5
Molecular Weight:
348.36
AlogP:
-1.31
PSA:
127.96
HBD:
2.0
HBA:
#RotB:
3.0
Source:
BORNEOL
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
BORNEOL
×
Maximum Phase:
3
First Approval:
None
UNII:
M89NIB437X
Molecule Type:
Small molecule
Molecular Formula:
C10H18O
Molecular Weight:
154.25
AlogP:
2.19
PSA:
20.23
HBD:
1.0
HBA:
#RotB:
0.0
Source:
PATUPILONE
(3)
Small molecule
Tubulin stabiliser
Unknown
Investigational
Unknown
PATUPILONE
×
Maximum Phase:
3
First Approval:
None
UNII:
UEC0H0URSE
Molecule Type:
Small molecule
Molecular Formula:
C27H41NO6S
Molecular Weight:
507.69
AlogP:
4.48
PSA:
109.25
HBD:
2.0
HBA:
#RotB:
2.0
Source:
ENCEQUIDAR MESYLATE
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
ENCEQUIDAR MESYLATE
×
Maximum Phase:
3
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
MUFEMILAST
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
MUFEMILAST
×
Maximum Phase:
3
First Approval:
None
UNII:
Molecule Type:
Small molecule
Molecular Formula:
Molecular Weight:
AlogP:
PSA:
HBD:
HBA:
#RotB:
Source:
IBODUTANT
(3)
Small molecule
Neurokinin 2 receptor antagonist
Unknown
Investigational
Unknown
IBODUTANT
×
Maximum Phase:
3
First Approval:
None
UNII:
1H7RSQ28BJ
Molecule Type:
Small molecule
Molecular Formula:
C37H48N4O4S
Molecular Weight:
644.88
AlogP:
5.23
PSA:
99.77
HBD:
3.0
HBA:
#RotB:
11.0
Source:
QUERCETIN
(3)
Small molecule
Unknown
Unknown
Investigational
Unknown
QUERCETIN
×
Maximum Phase:
3
First Approval:
None
UNII:
9IKM0I5T1E
Molecule Type:
Small molecule
Molecular Formula:
C15H10O7
Molecular Weight:
302.24
AlogP:
1.99
PSA:
131.36
HBD:
5.0
HBA:
#RotB:
1.0
Source:
AMIBEGRON HYDROCHLORIDE
(3)
Small molecule
Beta-3 adrenergic receptor agonist
Unknown
Investigational
Unknown
AMIBEGRON HYDROCHLORIDE
×
Maximum Phase:
3
First Approval:
None
UNII:
N910CJ679E
Molecule Type:
Small molecule
Molecular Formula:
C22H27Cl2NO4
Molecular Weight:
440.37
AlogP:
3.46
PSA:
67.79
HBD:
2.0
HBA:
#RotB:
8.0
Source:
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Molecular Formula
Molecular Weight
ALogP
PSA