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Compound Detail

CHEMBL29154

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COc1ccccc1N1CCN(CCCCN2C(=O)C3C4C=CC(C5C=CC54)C3C2=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29154
Phase Preclinical
Structure Type MOL
InChI Key SPQLZFKUEFXYHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
2.82
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.37
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 C27H33N3O3
MW 447.58
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine