Details of the Drug

General Information of Drug (ID: DM37FKA)

Drug Name
Primovist
Synonyms
Eovist; Primovist; gadoxate disodium; AC1L9OPS; gadolinium ethoxybenzyl-DTPA; MOLI000482; 2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid; gadolinium(3+)
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
3		 Molecular Weight 684.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 20
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 14
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 3.57 mL/min/kg [1]
Half-life
The concentration or amount of drug in body reduced by one-half in 0.95 hours [1]
Unbound Fraction
The unbound fraction of drug in plasma is 0.9% [1]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.21 L/kg [1]
Chemical Identifiers
Formula
C23H33GdN3O11+3
IUPAC Name
2-[[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;gadolinium(3+)
Canonical SMILES
CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Gd+3]
InChI
InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3
InChIKey
PCZHWPSNPWAQNF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
450096
VARIDT ID
DR01617

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic anion transporting polypeptide 1B1 (SLCO1B1) DT3D8F0 SO1B1_HUMAN Substrate [2]
Organic anion transporting polypeptide 1B3 (SLCO1B3) DT9C1TS SO1B3_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
2 Organic anion transporting polypeptide 1B1: a genetically polymorphic transporter of major importance for hepatic drug uptake. Pharmacol Rev. 2011 Mar;63(1):157-81.
3 Hepatic uptake of the magnetic resonance imaging contrast agent Gd-EOB-DTPA: role of human organic anion transporters. Drug Metab Dispos. 2010 Jul;38(7):1024-8.