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Compound Detail

CHEMBL4582148

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Cc1cc(C)c2ccc(C=O)nc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4582148
Phase Preclinical
Structure Type MOL
InChI Key XEIMFKGDSXIMHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

201.2
MW (Da)
2.37
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO2
MW 201.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
30529546 10.1016/j.ejmech.2018.11.018 Bromodomain-containing protein 4 2

Data from ChEMBL 36 via Core Engine