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Compound Detail

CHEMBL72825

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NC(=O)C(NCc1ccccc1[N+](=O)[O-])c1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72825
Phase Preclinical
Structure Type MOL
InChI Key SHCFOLMVMBGVDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.2
MW (Da)
3.22
ALogP
4
HBA
2
HBD
98.3
PSA (Ų)
0.61
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 C15H13Cl2N3O3
MW 354.19
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
11527703 10.1016/s0960-894x(01)00410-3 Human immunodeficiency virus 1 1
15771411 10.1021/jm040127p MT4 1

Data from ChEMBL 36 via Core Engine