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Compound Detail

CHEMBL1183479

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CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183479
Phase Preclinical
Structure Type MOL
InChI Key ZSCQNYLCSNCYIW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.6
MW (Da)
3.75
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36N2O3
MW 400.56
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine