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Compound Detail

CHEMBL1164202

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O=c1c(Cc2ccc(Cl)cc2)coc2cccc(OCC3CCCCC3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164202
Phase Preclinical
Structure Type MOL
InChI Key JEYQUZBWAPGLMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.9
MW (Da)
6.00
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23ClO3
MW 382.89
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
20226573 10.1016/j.ejmech.2010.02.041 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine