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Compound Detail

CHEMBL1179543

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CCc1c2nc(c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(CC)c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3nc1C=C3)C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179543
Phase Preclinical
Structure Type MOL
InChI Key FJTHENWADCKQGH-LQLKQCIXSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.7
MW (Da)
6.76
ALogP
2
HBA
2
HBD
65.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H34N6+2
MW 550.71
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine