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Compound Detail

CHEMBL1182445

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C(#Cc1cc(C#CCCC[n+]2cccc(-c3ccccc3)c2)cc(C#CCCC[n+]2cccc(-c3ccccc3)c2)c1)CCC[n+]1cccc(-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182445
Phase Preclinical
Structure Type MOL
InChI Key GNYBGWMBQKXKSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

739.0
MW (Da)
10.05
ALogP
0
HBA
0
HBD
11.6
PSA (Ų)
0.07
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H48N3+3
MW 739.00
Aromatic Rings 7
Heavy Atoms 57
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine