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Compound Detail

CHEMBL5920775

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Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=C[C@@H]2CC(=O)N1C2CCC1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5920775
Phase Preclinical
Structure Type MOL
InChI Key GTBBLTWEDPXOSR-KMFTYDHNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.0
MW (Da)
5.30
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25ClN4O
MW 444.97
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 IC50 = 600.0 nM 6.22 Time-Resolved Fluorescence Resonance energy Transfer (TR-FRET) Assay: For this p... -

Data from ChEMBL 36 via Core Engine