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Compound Detail

CHEMBL141946

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O=C(O)c1ccc2ccc(/C=C/c3ccc(CO)cc3)nc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL141946
Phase Preclinical
Structure Type MOL
InChI Key ODNIXCPQKCSVKL-VMPITWQZSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
3.30
ALogP
4
HBA
3
HBD
90.7
PSA (Ų)
0.69
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 C19H15NO4
MW 321.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.04

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
12361391 10.1021/jm020845g Human immunodeficiency virus 1 3
19112024 10.1016/j.bmc.2008.11.075 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine