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Compound Detail

CHEMBL410140

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O=C1c2sccc2N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)N1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL410140
Phase Preclinical
Structure Type MOL
InChI Key GWARSQIBTIUUDO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
3.56
ALogP
6
HBA
0
HBD
100.8
PSA (Ų)
0.46
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 C19H15N3O5S2
MW 429.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
17964796 10.1016/j.bmc.2007.10.013 Human immunodeficiency virus 1 1
17964796 10.1016/j.bmc.2007.10.013 MT4 1
17964796 10.1016/j.bmc.2007.10.013 Unchecked 1
17964796 10.1016/j.bmc.2007.10.013 Human immunodeficiency virus 2 1

Data from ChEMBL 36 via Core Engine