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Compound Detail

CHEMBL4595090

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COc1ccc2cc(CN3CCCCC3C(=O)O)c3cc(OC)c(OC)cc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595090
Phase Preclinical
Structure Type MOL
InChI Key UPCHFLHZPAKITO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
4.46
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27NO5
MW 409.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine