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Compound Detail

CHEMBL380881

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Cc1nc(C#Cc2cccnc2)c(-c2ccccc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380881
Phase Preclinical
Structure Type MOL
InChI Key WPXSUSHLOJMPKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
3.91
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N2S
MW 276.36
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
16451073 10.1021/jm050570f Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine