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Compound Detail

CHEMBL173575

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CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(S)nc1C

Basic Information

ChEMBL ID CHEMBL173575
Phase Preclinical
Structure Type MOL
InChI Key UCRABRKSDLESNY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.5
MW (Da)
4.78
ALogP
4
HBA
1
HBD
38.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2OS
MW 326.47
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.37

Activity Summary

IC50 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7683054 10.1021/jm00060a002 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine