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Compound Detail

CHEMBL192832

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Cc1occc1/C(S)=N/c1ccc(Cl)c(CNOC(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL192832
Phase Preclinical
Structure Type MOL
InChI Key IGZAHQGCPJZDCE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.9
MW (Da)
5.07
ALogP
4
HBA
2
HBD
46.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21ClN2O2S
MW 352.89
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
 IC50 6.85 6.85 142.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 IC50 = 142.0 nM 6.85 Concentration required to inhibit 50% viral production of human immunodeficiency... 15801834

Literature References

PubMed DOI Target Context # Activities
15801834 10.1021/jm049606e Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine