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Compound Detail

CHEMBL3546858

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COc1ccc2c(c1)OC/C(=C\c1ccc(OCCCN3CCCCC3)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546858
Phase Preclinical
Structure Type MOL
InChI Key PMWLFTSGJFLDTC-CAPFRKAQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
4.61
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.50
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 C25H29NO4
MW 407.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine