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Compound Detail

CHEMBL5614228

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

Basic Information

ChEMBL ID CHEMBL5614228
Phase Preclinical
Structure Type MOL
InChI Key LOKHSVBHANMVTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

325.8
MW (Da)
5.05
ALogP
4
HBA
0
HBD
29.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10ClF2N3S
MW 325.77
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.75

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