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Compound Detail

CHEMBL3770550

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COc1cccc(-c2cc(C(C)=O)n3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770550
Phase Preclinical
Structure Type MOL
InChI Key OEHLEZQCKKPDPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
3.82
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO2
MW 265.31
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
25799074 10.1021/acs.jmedchem.5b00209 Bromodomain adjacent to zinc finger domain protein 2A 2
25799074 10.1021/acs.jmedchem.5b00209 Bromodomain adjacent to zinc finger domain protein 2B 2

Data from ChEMBL 36 via Core Engine