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Compound Detail

CHEMBL475427

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CCc1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475427
Phase Preclinical
Structure Type MOL
InChI Key ZEWLQOODLJVDAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
6.16
ALogP
5
HBA
1
HBD
88.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17F6N3O3S
MW 517.45
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
18692274 10.1016/j.ejmech.2008.06.028 Human immunodeficiency virus 1 1
18692274 10.1016/j.ejmech.2008.06.028 Human immunodeficiency virus 2 1
18692274 10.1016/j.ejmech.2008.06.028 MT4 1
18692274 10.1016/j.ejmech.2008.06.028 Unchecked 1

Data from ChEMBL 36 via Core Engine