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Compound Detail

CHEMBL3585512

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CC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n(CCCCCCNC(=O)Oc2ccccc2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3585512
Phase Preclinical
Structure Type MOL
InChI Key BPXCDAIZFPMJOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
7.68
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34N2O3
MW 494.64
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00181H Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine