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

CHEMBL212317

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
CC(Cc1ccc(Cl)cc1)Sc1nsc(Nc2cccnc2)c1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212317
Phase Preclinical
Structure Type MOL
InChI Key GQFFWPAHFXPYSA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
4.76
ALogP
6
HBA
2
HBD
80.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN4OS2
MW 404.95
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 29.0 nM 7.54 Inhibition of TrkA kinase 16632359

Literature References

PubMed DOI Target Context # Activities
16632359 10.1016/j.bmcl.2006.04.003 High affinity nerve growth factor receptor 2

Data from ChEMBL 36 via Core Engine