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Compound Detail

CHEMBL1178355

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CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CCOC(C)=O)c2cc3ccccc3cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178355
Phase Preclinical
Structure Type MOL
InChI Key CYLMMYPAEZQAEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
5.99
ALogP
4
HBA
0
HBD
38.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H34N3O2+
MW 480.63
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine