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

CHEMBL211858

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
CNC(=O)Nc1snc(SC2CCCc3ccccc32)c1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL211858
Phase Preclinical
Structure Type MOL
InChI Key LHKRNWZSFJYSNE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
3.16
ALogP
5
HBA
3
HBD
97.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O2S2
MW 362.48
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.30

Activity Summary

IC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.96 6.475 111.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 111.0 nM 6.96 Inhibition of TrkA kinase 16632359
High affinity nerve growth factor receptor IC50 = 1020.0 nM 5.99 Inhibition of PAE cells overexpressing TrkA 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