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Compound Detail

CHEMBL378545

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O=C1O/C(=C\c2ccc(Cl)cc2)c2c1cccc2[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378545
Phase Preclinical
Structure Type MOL
InChI Key IXQGWTINZVQQNL-JYRVWZFOSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

301.7
MW (Da)
3.92
ALogP
4
HBA
0
HBD
69.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8ClNO4
MW 301.69
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.55

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16713260 10.1016/j.bmcl.2006.04.087 Human immunodeficiency virus 2
16713260 10.1016/j.bmcl.2006.04.087 Unchecked 1
16713260 10.1016/j.bmcl.2006.04.087 ADMET 1
16713260 10.1016/j.bmcl.2006.04.087 Protein Tat 1
16713260 10.1016/j.bmcl.2006.04.087 Nuclear factor NF-kappa-B complex 1

Data from ChEMBL 36 via Core Engine