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Compound Detail

CHEMBL475241

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CCc1c(Cc2ccc(-c3ccccc3)cc2)nc(SCc2ccc(OC)cc2)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475241
Phase Preclinical
Structure Type MOL
InChI Key HBSSTGZVFXLJET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
5.89
ALogP
4
HBA
1
HBD
55.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N2O2S
MW 442.58
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.99

Literature References

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

Data from ChEMBL 36 via Core Engine