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Compound Detail

CHEMBL1739679

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C(#Cc1ccccc1C#CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1739679
Phase Preclinical
Structure Type MOL
InChI Key XHHADQQAODUSBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
6.23
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.16
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 C34H30N2+2
MW 466.63
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.01

Data from ChEMBL 36 via Core Engine