Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00NEE
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| Former ID |
DNC013053
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| Drug Name |
Bip-tyr-thr-pro-lys-thr
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| Synonyms |
CHEMBL379496; bip-tyr-thr-pro-lys-thr
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C46H62N8O12
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| Canonical SMILES |
CC(C(C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N)O
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| InChI |
1S/C46H62N8O12/c1-25(55)38(44(62)54-21-5-7-37(54)43(61)50-35(6-3-4-20-47)41(59)53-39(26(2)56)46(65)66)52-42(60)36(24-29-12-18-32(57)19-13-29)51-40(58)33(48)22-27-8-14-30(15-9-27)31-16-10-28(11-17-31)23-34(49)45(63)64/h8-19,25-26,33-39,55-57H,3-7,20-24,47-49H2,1-2H3,(H,50,61)(H,51,58)(H,52,60)(H,53,59)(H,63,64)(H,65,66)/t25-,26-,33+,34+,35+,36+,37+,38+,39+/m1/s1
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| InChIKey |
IBJQKBDBQJHDOQ-KOXSSGOCSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Dopamine transporter (DAT) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Dopaminergic synapse | |||
| Parkinson's disease | ||||
| Cocaine addiction | ||||
| Amphetamine addiction | ||||
| Alcoholism | ||||
| Panther Pathway | Adrenaline and noradrenaline biosynthesis | |||
| Parkinson disease | ||||
| Dopamine receptor mediated signaling pathway | ||||
| Pathway Interaction Database | Alpha-synuclein signaling | |||
| Reactome | Na+/Cl- dependent neurotransmitter transporters | |||
| WikiPathways | Monoamine Transport | |||
| NRF2 pathway | ||||
| Dopaminergic Neurogenesis | ||||
| Parkinsons Disease Pathway | ||||
| Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compounds | ||||
| Neurotransmitter Clearance In The Synaptic Cleft | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Development of peptidic dopamine transporter inhibitors via aromatic modification-mediated conformational restriction. J Med Chem. 2006 Jul 13;49(14):4048-51. | |||
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