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Compound Detail

CHEMBL210863

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O=C(CC(=O)C(=O)O)CC(=O)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL210863
Phase Preclinical
Structure Type MOL
InChI Key FXRKDNGHBSTTJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

235.2
MW (Da)
0.27
ALogP
5
HBA
1
HBD
101.4
PSA (Ų)
0.43
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 C11H9NO5
MW 235.19
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
16546383 10.1016/j.bmcl.2006.03.010 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine