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Compound Detail

CHEMBL383771

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Cc1nc(C#Cc2cccnc2Cl)cs1

Basic Information

ChEMBL ID CHEMBL383771
Phase Preclinical
Structure Type MOL
InChI Key QLWMJSFCHZCXRN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.7
MW (Da)
2.90
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.52
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 C11H7ClN2S
MW 234.71
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 5
CHEMBL3227
IC50 7.34 7.34 45.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine