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Compound Detail

CHEMBL378736

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COc1ccc(Nc2snc(SCc3ccc(Cl)cc3)c2C(N)=O)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378736
Phase Preclinical
Structure Type MOL
InChI Key OYVOITSEETVYOR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
4.33
ALogP
7
HBA
2
HBD
90.1
PSA (Ų)
0.57
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 C17H15ClN4O2S2
MW 406.92
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.17

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.75 6.75 179.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 179.0 nM 6.75 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