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Compound Detail

CHEMBL462682

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Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5cccs5)CC4)cc3)[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462682
Phase Preclinical
Structure Type MOL
InChI Key PPPMBKRVAHBJJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
4.64
ALogP
5
HBA
2
HBD
95.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4O3S2
MW 480.62
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.34

Literature References

PubMed DOI Target Context # Activities
19072118 10.1021/jm801042a Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine