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Compound Detail

CHEMBL4302677

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O=C(O)CCN1CCC2(CC1)COc1cc(OCc3ccccc3Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302677
Phase Preclinical
Structure Type MOL
InChI Key AMMDLGSZWYTERF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
4.12
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClNO4
MW 401.89
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine