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Compound Detail

CHEMBL5618848

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Cc1nc(N(C)c2ccc(Cl)c(Cl)c2)c2sccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5618848
Phase Preclinical
Structure Type MOL
InChI Key GNLYVSPOPIUHRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

324.2
MW (Da)
5.07
ALogP
4
HBA
0
HBD
29.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11Cl2N3S
MW 324.24
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.07

Literature References

PubMed DOI Target Context # Activities
39197251 10.1016/j.ejmech.2024.116791 HCT-116 1
39197251 10.1016/j.ejmech.2024.116791 B16-F10 1
39197251 10.1016/j.ejmech.2024.116791 HeLa 1
39197251 10.1016/j.ejmech.2024.116791 MCF7 1
39197251 10.1016/j.ejmech.2024.116791 NCI-H23 1
39197251 10.1016/j.ejmech.2024.116791 HepG2 1

Data from ChEMBL 36 via Core Engine