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Compound Detail

CHEMBL473405

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COc1ccc(CSc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)c(=O)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473405
Phase Preclinical
Structure Type MOL
InChI Key ZLTFDKGXKXTDKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

488.4
MW (Da)
6.01
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18F6N2O2S
MW 488.45
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.18

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