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Compound Detail

CHEMBL4867208

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Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CCCCBr)C(=O)N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4867208
Phase Preclinical
Structure Type MOL
InChI Key IBTAUJYONSHPKW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.4
MW (Da)
6.09
ALogP
3
HBA
0
HBD
49.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26BrN3O2
MW 468.40
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 IC50 = 13.0 nM 7.89 Inhibition of BRD4-BD1 (unknown origin) preincubated for 15 mins followed by sub... 33862375

Literature References

PubMed DOI Target Context # Activities
33862375 10.1016/j.bmc.2021.116133 Bromodomain-containing protein 4 2

Data from ChEMBL 36 via Core Engine