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Compound Detail

CHEMBL1407201

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COc1ccc2nc(NC(=O)CCc3nc(-c4ccccc4F)no3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1407201
Phase Preclinical
Structure Type MOL
InChI Key AVUHWJQQTKZRSW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
4.07
ALogP
7
HBA
1
HBD
90.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15FN4O3S
MW 398.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.63

Activity Summary

IC50 1 meas. best 4.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase BAP1
CHEMBL1293314
 IC50 4.44 4.44 36623.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ubiquitin carboxyl-terminal hydrolase BAP1 IC50 = 36623.5 nM 4.44 PUBCHEM_BIOASSAY: BAP1 Enzyme inhibitors Dose Response Confirmation. (Class of a... -

Data from ChEMBL 36 via Core Engine