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Compound Detail

CHEMBL4872319

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c1ccc(CSc2nnc(-c3ccccc3)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872319
Phase Preclinical
Structure Type MOL
InChI Key CBPCFMMAXNCEHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
3.76
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13N3S
MW 267.36
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
33756127 10.1016/j.ejmech.2021.113326 DCN1-like protein 1 2

Data from ChEMBL 36 via Core Engine