proflavine – Proflavine

Name
WID proflavine View in model
Name Proflavine View in model
Traditional name proflavine
IUPAC name acridine-3,6-diamine
Cross references PubChem: 13362, ChEBI: 8452, KEGG: C11181
 
Classification
Type antibiotic_acridine View in model
 
Structure
Empirical formula (pH 7.5) H11C13N3
SMILES (pH 7.5) C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N
Charge (pH 7.5) 1
Is hydrophobic False View in model
Molecular weight (Da) 209.25 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)		 185.98
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 1124.70
logP 1.85
logD (pH 7.5) 0.800
 
Function
Reaction participant drug efflux (proflavine) via sodium antiport
NA[e] + proflavine[c] ⇒ NA[c] + proflavine[e]		 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 15:07:06
Last updated 2012-10-01 15:12:29