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Compound Detail

CHEMBL5624927

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COC(=O)c1c(N)sc(C(=O)Nc2ccc(C#N)cc2)c1C

Basic Information

ChEMBL ID CHEMBL5624927
Phase Preclinical
Structure Type MOL
InChI Key JSEXCMRVTSHWNZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.55
ALogP
6
HBA
2
HBD
105.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3O3S
MW 315.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.82

Activity Summary

EC50 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDGSH iron-sulfur domain-containing protein 2
CHEMBL4523399
EC50 7.09 7.09 82.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37393792 10.1016/j.ejmech.2023.115583 ADMET 1
37393792 10.1016/j.ejmech.2023.115583 CDGSH iron-sulfur domain-containing protein 2 1

Data from ChEMBL 36 via Core Engine