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Compound Detail

CHEMBL6064308

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Cc1[nH]c(-c2ccccc2OCc2ccccc2)c2c1C(=O)CC(C)(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6064308
Phase Preclinical
Structure Type MOL
InChI Key KPLWFVHCDJNLEY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
5.72
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO2
MW 359.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.20

Activity Summary

Ki 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 4
CHEMBL1163125
 Ki 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bromodomain-containing protein 4 Ki = 1500.0 nM 5.82 TR-FRET Assay: Compound dilution series were prepared in DMSO via a 3-fold seria... -

Data from ChEMBL 36 via Core Engine