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Compound Detail

CHEMBL1813129

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Cc1ccc(NC(=O)CC(=O)O)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813129
Phase Preclinical
Structure Type MOL
InChI Key SDYWUGSUJBUUFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
1.32
ALogP
4
HBA
2
HBD
109.5
PSA (Ų)
0.47
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 C10H10N2O5
MW 238.20
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
21767953 10.1016/j.bmc.2011.06.054 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine