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Compound Detail

CHEMBL562217

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COc1cccc(OC)c1CC(=O)NCCc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL562217
Phase Preclinical
Structure Type MOL
InChI Key JAIDKDYSMHHYAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.31
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO4
MW 315.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
19545120 10.1021/jm900106f Zinc finger protein GLI1 1

Data from ChEMBL 36 via Core Engine