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Compound Detail

CHEMBL565502

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Cc1c(-c2ccccc2)sc(N)c1C#N

Basic Information

ChEMBL ID CHEMBL565502
Phase Preclinical
Structure Type MOL
InChI Key ALTJGNDYZQYJSC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
3.18
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.79
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 C12H10N2S
MW 214.29
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 4.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 6
CHEMBL4573
IC50 4.15 4.15 71000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
30523084 10.1126/science.aat9446 HepG2-CD81 2
19819046 10.1016/j.ejmech.2009.09.025 Metabotropic glutamate receptor 5 1
19819046 10.1016/j.ejmech.2009.09.025 Metabotropic glutamate receptor 6 1

Data from ChEMBL 36 via Core Engine