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Compound Detail

CHEMBL5902819

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CCCC[S+]([O-])c1sc2nc(-c3nccs3)ccc2c1N

Basic Information

ChEMBL ID CHEMBL5902819
Phase Preclinical
Structure Type MOL
InChI Key IWVYGUJMFSRIHB-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
3.91
ALogP
6
HBA
1
HBD
74.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N3OS3
MW 337.50
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.28

Activity Summary

IC50 4 meas. best 9.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
15-hydroxyprostaglandin dehydrogenase [NAD(+)]
CHEMBL1293255
IC50 9.01 8.89 1.0 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine