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Compound Detail

CHEMBL259159

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O=C1c2sccc2N(Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259159
Phase Preclinical
Structure Type MOL
InChI Key NAVLRUGMBCDUPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.66
ALogP
4
HBA
0
HBD
57.7
PSA (Ų)
0.69
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 C19H16N2O3S2
MW 384.48
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.90

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