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Compound Detail

CHEMBL4550200

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O=C(Nc1ccc2ccccc2c1)c1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4550200
Phase Preclinical
Structure Type MOL
InChI Key OBWRSROOUXDGKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
4.70
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.58
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 C18H12N2OS
MW 304.37
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.81

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