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Compound Detail

CHEMBL225723

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COc1ccc2[nH]c(=O)c3ccccc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225723
Phase Preclinical
Structure Type MOL
InChI Key SFDHWBOPWONGJZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
2.69
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11NO2
MW 225.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.41

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17158051 10.1016/j.bmc.2006.11.026 Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine