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Compound Detail

CHEMBL5613893

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COc1ccc2c(c1)CCN2c1nc(Cl)nc2ccsc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5613893
Phase Preclinical
Structure Type MOL
InChI Key VWDUMMSALVRWJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

317.8
MW (Da)
4.05
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12ClN3OS
MW 317.80
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
38972078 10.1016/j.ejmech.2024.116649 A549 1
38972078 10.1016/j.ejmech.2024.116649 A2780 1
38972078 10.1016/j.ejmech.2024.116649 SK-OV-3 1
38972078 10.1016/j.ejmech.2024.116649 HCC827 1

Data from ChEMBL 36 via Core Engine