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Compound Detail

CHEMBL480394

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COc1cc(/C=C/C(=O)O)cc([N+](=O)[O-])c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480394
Phase Preclinical
Structure Type MOL
InChI Key PQFQIWNHGCVXIB-NSCUHMNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
1.41
ALogP
5
HBA
2
HBD
109.9
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 C10H9NO6
MW 239.18
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.06

Literature References

PubMed DOI Target Context # Activities
18952420 10.1016/j.bmcl.2008.10.046 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine