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Compound Detail

CHEMBL5584143

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C#CN(C)S(=O)(=O)c1ccc(Cn2ccc3c(Cl)nc(Cl)nc32)cc1

Basic Information

ChEMBL ID CHEMBL5584143
Phase Preclinical
Structure Type MOL
InChI Key QHNPFAVIIHWHKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
3.00
ALogP
5
HBA
0
HBD
68.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12Cl2N4O2S
MW 395.27
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
38265413 10.1021/acs.jmedchem.3c01608 ASPC1 1

Data from ChEMBL 36 via Core Engine