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Compound Detail

CHEMBL5408046

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Nc1nc(Nc2ccc(Cl)cc2)n(S(=O)(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408046
Phase Preclinical
Structure Type MOL
InChI Key VMIHRHCOOKQVJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.9
MW (Da)
3.09
ALogP
10
HBA
2
HBD
133.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12ClF3N8O2S
MW 484.85
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.28

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