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Compound Detail

CHEMBL371254

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Cc1nc(C#Cc2ccc3[nH]ccc3c2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371254
Phase Preclinical
Structure Type MOL
InChI Key GDWBSCCAOFXRIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
3.33
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N2S
MW 238.32
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.04

Literature References

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

Data from ChEMBL 36 via Core Engine