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

CHEMBL3260513

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
CCOC(=O)C(c1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12

Basic Information

ChEMBL ID CHEMBL3260513
Phase Preclinical
Structure Type MOL
InChI Key AYNDWTZJYBGAPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.9
MW (Da)
4.74
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18ClN3O2
MW 391.86
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.27

Activity Summary

EC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24751443 10.1016/j.bmcl.2014.03.023 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine