Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0P2CS
|
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| Former ID |
DNC004420
|
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| Drug Name |
EVANS BLUE
|
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| Drug Type |
Small molecular drug
|
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| Indication | Blood volume and Cardiac output measurement | Approved | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C34H24N6Na4O14S4
|
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| 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+]
|
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| 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
|
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| InChIKey |
KBNIFDASRCWYGC-UHFFFAOYSA-J
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Serum albumin | Target Info | Modulator | [1] | |
| 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 1 | The ChEMBL database in 2017. | ||||
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