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Compound Detail

CHEMBL5094924

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CC(=O)N1CCC(NC(=O)NC23CC4CC(CC(C2)c2ccccc24)O3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5094924
Phase Preclinical
Structure Type MOL
InChI Key YRYKQWALENFGCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
2.85
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O3
MW 383.49
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.37

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