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Compound Detail

CHEMBL5083283

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Cc1ccc(OC(=O)NC23CC4CC(C)(CC(C2)c2ccccc24)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5083283
Phase Preclinical
Structure Type MOL
InChI Key YGQUCUOSOQRPJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
5.69
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO2
MW 361.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
33945278 10.1021/acs.jmedchem.0c01601 ADMET 3
33945278 10.1021/acs.jmedchem.0c01601 Bifunctional epoxide hydrolase 2 1

Data from ChEMBL 36 via Core Engine