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Compound Detail

CHEMBL4084260

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N#Cc1ccc(Nc2cc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4084260
Phase Preclinical
Structure Type MOL
InChI Key YSRCFFWXTQIPNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

486.4
MW (Da)
5.54
ALogP
5
HBA
2
HBD
94.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12F6N4O2S
MW 486.40
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
28659246 10.1016/j.bmc.2017.06.022 Human immunodeficiency virus 1 2
28659246 10.1016/j.bmc.2017.06.022 Unchecked 1
28659246 10.1016/j.bmc.2017.06.022 Human immunodeficiency virus 2 1
28659246 10.1016/j.bmc.2017.06.022 MT4 1

Data from ChEMBL 36 via Core Engine