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Compound Detail

CHEMBL1526410

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NC(=O)c1c(-c2cccs2)csc1N

Basic Information

ChEMBL ID CHEMBL1526410
Phase Preclinical
Structure Type MOL
InChI Key AOKUOQRFZXRQBM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.16
ALogP
4
HBA
2
HBD
69.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N2OS2
MW 224.31
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.85

Activity Summary

EC50 1 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein RecA
CHEMBL1741171
EC50 5.99 5.99 1020.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein RecA EC50 = 1020.0 nM 5.99 PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... -

Data from ChEMBL 36 via Core Engine