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Compound Detail

CHEMBL356875

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COC(=O)c1cccn1S(=O)(=O)c1ccccc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL356875
Phase Preclinical
Structure Type MOL
InChI Key WCBRSPMAVVVPKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
1.42
ALogP
7
HBA
0
HBD
108.5
PSA (Ų)
0.48
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 C12H10N2O6S
MW 310.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.51

Activity Summary

EC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MT4 EC50 = 5000.0 nM 5.3 Effective concentration against HIV-1 induced cytopathogenicity in MT-4 cells 8558522

Literature References

PubMed DOI Target Context # Activities
8558522 10.1021/jm950568w MT4 3

Data from ChEMBL 36 via Core Engine