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Compound Detail

CHEMBL1962755

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COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)C2=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1962755
Phase Preclinical
Structure Type MOL
InChI Key GRLMWWLAYDWUKA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
4.78
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.55
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 C29H32N2O2
MW 440.59
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine