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Compound Detail

CHEMBL1713009

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CN=c1sc2c(n1C)C(=O)c1ccccc1C2=O

Basic Information

ChEMBL ID CHEMBL1713009
Phase Preclinical
Structure Type MOL
InChI Key GWLABUXKVMQBNY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
1.39
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N2O2S
MW 258.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.30

Activity Summary

IC50 2 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.75 5.495 1776.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine