Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00302
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| Drug Name |
Coenzyme A
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| Synonyms |
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}; 3'-phosphoadenosine-(5')diphospho(4')pantatheine; 85-61-0; CHEBI:15346; Co-A-SH; CoA; CoA-SH; CoASH; Coenzym A; Coenzyme A hydrate; Coenzyme ASH; Depot-Zeel; HS-CoA; HSCoA; Reduced CoA; SAA04E81UX; UNII-SAA04E81UX; Zeel; co-A; co-enzyme-A
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| Drug Type |
Small molecular drug
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| Indication | Hyperlipoproteinemia [ICD11:5C80] | Phase 3 | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C21H36N7O16P3S
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| Canonical SMILES |
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
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| InChI |
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
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| InChIKey |
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
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| CAS Number |
CAS 85-61-0
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| Pharmaceutical Properties | Molecular Weight | 767.5 | Topological Polar Surface Area | 348 | ||
| Heavy Atom Count | 48 | Rotatable Bond Count | 18 | |||
| Hydrogen Bond Donor Count | 10 | Hydrogen Bond Acceptor Count | 21 | |||
| XLogP |
-5.8
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| PubChem CID | ||||||
| PubChem SID |
3312
,584781
,585803
,7886704
,8012126
,8015117
,8017121
,820209
,821306
,821310
,821978
,821981
,821983
,822315
,825209
,826268
,826273
,826648
,826649
,827349
,827479
,828508
,829102
,829243
,829831
,829832
,830028
,830070
,830114
,831197
,831239
,832661
,832832
,832850
,833892
,835941
,836037
,836039
,836309
,836925
,837304
,838522
,838860
,841100
,854565
,854707
,854711
,854757
,854939
,854940
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| ChEBI ID |
ChEBI:15346
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | GDC | Transporter Info | Graves disease carrier protein | Substrate | [2] | |
| PMP34 | Transporter Info | Peroxisomal membrane protein PMP34 | Substrate | [3] | ||
| SLC25A42 | Transporter Info | Mitochondrial coenzyme A transporter SLC25A42 | Substrate | [4] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | GDC | Transporter Info | Km =140 microM | Yeast cells-GDC | [2] | |
| SLC25A42 | Transporter Info | Km =71 microM | Liposomes reconstituted with SLC25A42 | [4] | ||
| References | ||||||
| 1 | ClinicalTrials.gov (NCT01878227) Comparison of Coenzyme A and Fenofibrate for Safety and Efficacy On Patients With Hyperlipidemia | |||||
| 2 | Biochemical characterization of a new mitochondrial transporter of dephosphocoenzyme A in Drosophila melanogaster. Biochim Biophys Acta Bioenerg. 2017 Feb;1858(2):137-146. | |||||
| 3 | The human gene SLC25A17 encodes a peroxisomal transporter of coenzyme A, FAD and NAD+. Biochem J. 2012 Apr 1;443(1):241-7. | |||||
| 4 | A novel member of solute carrier family 25 (SLC25A42) is a transporter of coenzyme A and adenosine 3',5'-diphosphate in human mitochondria. J Biol Chem. 2009 Jul 3;284(27):18152-9. | |||||
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