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Compound Detail

CHEMBL5997187

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Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=CC2CC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5997187
Phase Preclinical
Structure Type MOL
InChI Key QZAGERDWTFYJKG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.9
MW (Da)
5.49
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24ClN3O2
MW 421.93
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 IC50 = 350.0 nM 6.46 Time-Resolved Fluorescence Resonance energy Transfer (TR-FRET) Assay: For this p... -

Data from ChEMBL 36 via Core Engine