ethidium – Ethidium

Name
WID ethidium View in model
Name Ethidium View in model
Traditional name ethidium
IUPAC name 3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium
Cross references PubChem: 29214985, ChEBI: 42478, KEGG: C11161
 
Classification
Type antibiotic View in model
 
Structure
Empirical formula (pH 7.5) H20C21N3
SMILES (pH 7.5) CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
Charge (pH 7.5) 1
Is hydrophobic False View in model
Molecular weight (Da) 314.40 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)		 294.29
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 1582.80
logP -0.910
logD (pH 7.5) -0.910
 
Function
Reaction participant drug efflux (ethidium bromide) via sodium antiport
ethidium[c] + NA[e] ⇒ ethidium[e] + NA[c]		 View in model
 
Comments
Comments DNA intercalator [PUB_0847].
References

  1. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res 39, D1035-41 (2011). WholeCell: PUB_0847, PubMed: 21059682
 
Metadata
Created 2012-10-01 15:06:57
Last updated 2012-10-01 15:12:08