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Compound Detail

CHEMBL82682

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CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82682
Phase Preclinical
Structure Type MOL
InChI Key NTAHLHAGCGYQHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

408.8
MW (Da)
3.62
ALogP
7
HBA
0
HBD
108.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN2O6S
MW 408.82
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
8558522 10.1021/jm950568w MT4 2
12773052 10.1021/jm0211063 MT4 1
12773052 10.1021/jm0211063 Human immunodeficiency virus 1 1
16722636 10.1021/jm0512490 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine