Drug General Information
Drug ID
D0P2CS
Former ID
DNC004420
Drug Name
EVANS BLUE
Drug Type
Small molecular drug
Indication Blood volume and Cardiac output measurement Approved [1572605]
Structure
Download
2D MOL

3D MOL

Formula
C34H24N6Na4O14S4
Canonical SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C=CC4=C(C3=O)C(=C(C=C<br />4S(=O)(=O)[O-])S(=O)(=O)[O-])N)C)NN=C5C=CC6=C(C5=O)C(=C<br />(C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[N<br />a+]
InChI
1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChIKey
KBNIFDASRCWYGC-UHFFFAOYSA-J
PubChem Compound ID
Target and Pathway
Target(s) Serum albumin Target Info Modulator [1572605]
Pathway Interaction Database FOXA2 and FOXA3 transcription factor networks
Reactome Platelet degranulation
Recycling of bile acids and salts
HDL-mediated lipid transport
Scavenging of heme from plasma
WikiPathways Human Complement System
Binding and Uptake of Ligands by Scavenger Receptors
Lipid digestion, mobilization, and transport
Transport of vitamins, nucleosides, and related molecules
Bile acid and bile salt metabolism
Folate Metabolism
Vitamin B12 Metabolism
Selenium Micronutrient Network
References
Ref 1572605The ChEMBL database in 2017.
Ref 1572605The ChEMBL database in 2017.

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