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Compound Detail

CHEMBL5890169

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Cc1[nH]c(-c2cccc(NS(C)(=O)=O)c2)c2c1C(=O)CC(C)(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5890169
Phase Preclinical
Structure Type MOL
InChI Key FXDDTMBJHBDSRS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.52
ALogP
3
HBA
2
HBD
79.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O3S
MW 346.45
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.83

Activity Summary

Ki 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 Ki 6.24 6.24 576.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 Ki = 576.0 nM 6.24 TR-FRET Assay: Compound dilution series were prepared in DMSO via a 3-fold seria... -

Data from ChEMBL 36 via Core Engine