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Compound Detail

CHEMBL4445661

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Cc1nc(-c2ccccc2)sc1C(=O)NCC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4445661
Phase Preclinical
Structure Type MOL
InChI Key JOJXISZXXSEZBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.43
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2OS
MW 314.45
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
31302448 10.1016/j.ejmech.2019.07.002 Cannabinoid receptor 1 4
31302448 10.1016/j.ejmech.2019.07.002 Cannabinoid receptor 2 4

Data from ChEMBL 36 via Core Engine