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Compound Detail

CHEMBL576043

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CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL576043
Phase Preclinical
Structure Type MOL
InChI Key SSRKNFYHFNHSFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
4.38
ALogP
5
HBA
0
HBD
55.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12F3N3O2S
MW 379.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.89

Literature References

PubMed DOI Target Context # Activities
19674894 10.1016/j.bmcl.2009.07.097 Metabotropic glutamate receptor 1 1

Data from ChEMBL 36 via Core Engine