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Compound Detail

CHEMBL5740187

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Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=C[C@@H]2Cc1nc(C2CC2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5740187
Phase Preclinical
Structure Type MOL
InChI Key BGRCXXKMEBTBFH-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.9
MW (Da)
5.26
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20ClN5O
MW 429.91
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 IC50 = 50.0 nM 7.3 Time-Resolved Fluorescence Resonance energy Transfer (TR-FRET) Assay: For this p... -

Data from ChEMBL 36 via Core Engine