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Compound Detail

CHEMBL234284

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CCc1c(C)[nH]c(=O)c(SCCC(N)=O)c1Oc1cc(C)cc(C)c1

Basic Information

ChEMBL ID CHEMBL234284
Phase Preclinical
Structure Type MOL
InChI Key FVSXPIUBZOXYMX-UHFFFAOYSA-N
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
3.62
ALogP
4
HBA
2
HBD
85.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O3S
MW 360.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.78

Activity Summary

IC50 5 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
IC50 7.9 6.58 12.5 5

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17157017 10.1016/j.bmcl.2006.10.082 Human immunodeficiency virus 1 5
17157017 10.1016/j.bmcl.2006.10.082 Unchecked 1

Data from ChEMBL 36 via Core Engine