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Compound Detail

CHEMBL467724

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NC(N)=NC(=O)c1ncc(-c2cccc(-c3ccsc3)c2)nc1N

Basic Information

ChEMBL ID CHEMBL467724
Phase Preclinical
Structure Type MOL
InChI Key SJLBTVPFEBWSGX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
1.87
ALogP
5
HBA
3
HBD
133.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N6OS
MW 338.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acid-sensing ion channel 3
CHEMBL5368
IC50 6.19 6.19 640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19339181 10.1016/j.bmcl.2009.03.029 Acid-sensing ion channel 3 3

Data from ChEMBL 36 via Core Engine