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Compound Detail

CHEMBL1180489

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COc1ccccc1N1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180489
Phase Preclinical
Structure Type MOL
InChI Key XIQJOGXXLJYFNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
5.10
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31N3O2
MW 465.60
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine