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Compound Detail

CHEMBL445660

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NC(=O)Nc1snc(SC2CCc3cc(Cl)ccc32)c1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL445660
Phase Preclinical
Structure Type MOL
InChI Key HEBJWJMMXHCUJW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.9
MW (Da)
3.17
ALogP
5
HBA
3
HBD
111.1
PSA (Ų)
0.77
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 C14H13ClN4O2S2
MW 368.87
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.26

Activity Summary

IC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 8.0 7.48 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 10.0 nM 8.0 Inhibition of TrkA kinase 16632359
High affinity nerve growth factor receptor IC50 = 110.0 nM 6.96 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