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Compound Detail

CHEMBL1187012

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COc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187012
Phase Preclinical
Structure Type MOL
InChI Key DUOWFFYJKGBOQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
4.72
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.74
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 C24H31NO2
MW 365.52
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine