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Compound Detail

CHEMBL199113

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Cc1c(O)nc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nc1Cc1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199113
Phase Preclinical
Structure Type MOL
InChI Key TUCIHFZVPUQSMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

468.3
MW (Da)
4.27
ALogP
7
HBA
1
HBD
123.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15Cl2N3O5S
MW 468.32
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
16335924 10.1021/jm050744t Human immunodeficiency virus 1 4
16335924 10.1021/jm050744t Human immunodeficiency virus type 1 reverse transcriptase 3
16335924 10.1021/jm050744t MT4 1

Data from ChEMBL 36 via Core Engine