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Compound Detail

CHEMBL1608267

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Cc1nnc2n(c1=O)N=C(c1ccc(Cl)cc1)CS2

Basic Information

ChEMBL ID CHEMBL1608267
Phase Preclinical
Structure Type MOL
InChI Key OYUMERJRBPSDQK-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

292.8
MW (Da)
1.96
ALogP
6
HBA
0
HBD
60.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9ClN4OS
MW 292.75
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.89

Activity Summary

EC50 3 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.61 6.5533 244.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine