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Compound Detail

CHEMBL1180158

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c1ccc2c(c1)c1cc[n+]2CCCCCC[n+]2ccc(c3ccccc32)NCCCCCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180158
Phase Preclinical
Structure Type MOL
InChI Key ZQNBIJZLMRIJDS-GYNJYFOTSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.7
MW (Da)
6.23
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N4+2
MW 454.66
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness 0.12

Data from ChEMBL 36 via Core Engine