Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL231763

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc2ccc(-c3cccnc3)cc2n1

Basic Information

ChEMBL ID CHEMBL231763
Phase Preclinical
Structure Type MOL
InChI Key MALXWWORFUKTKQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
3.61
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.63
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 C15H12N2
MW 220.28
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 5
CHEMBL2564
IC50 6.29 6.29 510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17590335 10.1016/j.bmcl.2007.06.030 Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine