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Compound Detail

CHEMBL1178011

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COc1ccc(CCN2CCN(c3ccccc3)CC2)cc1OCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178011
Phase Preclinical
Structure Type MOL
InChI Key IIYBUMVBOAURQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
4.68
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N2O2
MW 416.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.81

Data from ChEMBL 36 via Core Engine