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Compound Detail

CHEMBL4300899

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COc1ccccc1N1CCN(CCCOc2ccc(C)cc2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300899
Phase Preclinical
Structure Type MOL
InChI Key RRGONONIXNMNQE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
3.90
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.70
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 C22H30N2O2
MW 354.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine