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Compound Detail

CHEMBL1606031

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Cc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1606031
Phase Preclinical
Structure Type MOL
InChI Key WYOXSWNEFWFYMY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
3.15
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.78
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 C13H11N3O2S
MW 273.32
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.93

Activity Summary

EC50 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Heat shock factor protein 1
CHEMBL5313
 EC50 6.78 6.78 167.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Heat shock factor protein 1 EC50 = 167.0 nM 6.78 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... -

Data from ChEMBL 36 via Core Engine