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Compound Detail

CHEMBL1958459

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Cc1ccc(S(=O)(=O)N/N=C2/C(=O)Nc3c(Cl)cc(Cl)cc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958459
Phase Preclinical
Structure Type MOL
InChI Key WAYNVXJVCNYXMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.2
MW (Da)
2.94
ALogP
4
HBA
2
HBD
87.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11Cl2N3O3S
MW 384.24
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 4.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
 IC50 4.29 4.29 51000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus type 1 reverse transcriptase IC50 = 51000.0 nM 4.29 Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency vi... 22361685

Literature References

PubMed DOI Target Context # Activities
22361685 10.1016/j.ejmech.2012.01.056 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine