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Compound Detail

CHEMBL4302327

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COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302327
Phase Preclinical
Structure Type MOL
InChI Key OQBXDKWNISUMSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
2.67
ALogP
6
HBA
2
HBD
85.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N4O4
MW 500.60
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine