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Compound Detail

CHEMBL3306943

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c1ccc2c(c1)c[n+](Cc1ccc(C[n+]3cc4ccccc4c4ccccc43)cc1)c1ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3306943
Phase Preclinical
Structure Type MOL
InChI Key UCIFQDWVLNBKPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
6.97
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.20
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 C34H26N2+2
MW 462.60
Aromatic Rings 7
Heavy Atoms 36
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine