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Compound Detail

CHEMBL5411690

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CC(=O)Nc1nc(C)c(S(=O)(=O)n2nc(Nc3cc(Cl)c(Cl)cc3Cl)nc2N)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5411690
Phase Preclinical
Structure Type MOL
InChI Key IXWKCKXCDHSUIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.8
MW (Da)
3.52
ALogP
10
HBA
3
HBD
144.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12Cl3N7O3S2
MW 496.79
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
37130343 10.1021/acs.jmedchem.2c02055 Human immunodeficiency virus 1 2

Data from ChEMBL 36 via Core Engine