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Compound Detail

CHEMBL4300006

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O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300006
Phase Preclinical
Structure Type MOL
InChI Key YURUDXOKPVIBTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.90
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO4
MW 395.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine