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Compound Detail

CHEMBL1830696

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Cc1[nH]ncc1-c1nc(Nc2ccccn2)sc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830696
Phase Preclinical
Structure Type MOL
InChI Key SRPGAFOTMPKSDP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
3.29
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N5S
MW 271.35
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.36

Literature References

PubMed DOI Target Context # Activities
21688779 10.1021/jm200290z Metabotropic glutamate receptor 4 2

Data from ChEMBL 36 via Core Engine