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Compound Detail

CHEMBL3559255

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CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(C)CC4)c4ccccc4[n+]3C)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559255
Phase Preclinical
Structure Type MOL
InChI Key UZSVGXGKKVFNFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
5.71
ALogP
3
HBA
0
HBD
15.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H33N4+
MW 461.63
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine