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Compound Detail

CHEMBL4063941

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N#Cc1ccc(Nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4063941
Phase Preclinical
Structure Type MOL
InChI Key AKOGHXMHUXXMOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.64
ALogP
5
HBA
2
HBD
94.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13FN4O2S
MW 368.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.98

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 Human immunodeficiency virus 2 1
28659246 10.1016/j.bmc.2017.06.022 Unchecked 1
28659246 10.1016/j.bmc.2017.06.022 MT4 1

Data from ChEMBL 36 via Core Engine