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Compound Detail

CHEMBL2009370

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CN(C)c1n/c(=N/Cc2ccco2)ss1

Basic Information

ChEMBL ID CHEMBL2009370
Phase Preclinical
Structure Type MOL
InChI Key IIINLXGWSVXPIL-NTMALXAHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
1.96
ALogP
6
HBA
0
HBD
41.6
PSA (Ų)
0.77
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 C9H11N3OS2
MW 241.34
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NAD(+) hydrolase SARM1
CHEMBL4523350
IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NAD(+) hydrolase SARM1 IC50 = 150.0 nM 6.82 Inhibition of StrepTag-tagged human SARM1 TIR (561 to 724 residues) expressed in... -

Data from ChEMBL 36 via Core Engine