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Compound Detail

CHEMBL5613032

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CN(c1ccc(F)cc1)c1nc(Cl)nc2ccsc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5613032
Phase Preclinical
Structure Type MOL
InChI Key ZGAFRKZEKJSNJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

293.8
MW (Da)
4.25
ALogP
4
HBA
0
HBD
29.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9ClFN3S
MW 293.75
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.06

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