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Compound Detail

CHEMBL3798079

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CCOc1ccc(Cl)cc1/C=C1\Oc2cccc(OCc3ccccc3)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3798079
Phase Preclinical
Structure Type MOL
InChI Key FAVMXFZKFLYTAE-HMAPJEAMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
5.93
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19ClO4
MW 406.87
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
27161874 10.1016/j.bmc.2016.04.045 Human immunodeficiency virus 1 1
27161874 10.1016/j.bmc.2016.04.045 ADMET 1
27161874 10.1016/j.bmc.2016.04.045 CHO 1

Data from ChEMBL 36 via Core Engine