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

CHEMBL430406

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
Cc1ccc(Sc2cnc(Nc3cccc(Br)n3)s2)cc1C(=O)NCCC#N

Basic Information

ChEMBL ID CHEMBL430406
Phase Preclinical
Structure Type MOL
InChI Key SKDAESPVYNLFGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.4
MW (Da)
5.15
ALogP
7
HBA
2
HBD
90.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16BrN5OS2
MW 474.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.01

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 67.0 nM 7.17 Inhibition of TrkA 18055203

Literature References

PubMed DOI Target Context # Activities
18055203 10.1016/j.bmcl.2007.11.076 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine