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Compound Detail

CHEMBL4117678

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COc1cc(/C=C/c2cc(N3CCN(C)CC3)c3ccccc3[n+]2C)ccc1N1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117678
Phase Preclinical
Structure Type MOL
InChI Key ZFUFASXRXFBKDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.7
MW (Da)
3.35
ALogP
5
HBA
0
HBD
26.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N5O+
MW 472.66
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine