Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01DNN
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| Former ID |
DNC013052
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| Drug Name |
Bip-tyr(3bzl)-thr-pro-lys-thr
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| Synonyms |
CHEMBL385983; bip-tyr(3bzl)-thr-pro-lys-thr
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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 |
C53H68N8O12
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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)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)C5=CC=C(C=C5)CC(C(=O)O)N)N)O
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| InChI |
1S/C53H68N8O12/c1-30(62)45(51(69)61-24-8-12-43(61)50(68)57-41(11-6-7-23-54)48(66)60-46(31(2)63)53(72)73)59-49(67)42(29-35-17-22-44(64)38(26-35)25-32-9-4-3-5-10-32)58-47(65)39(55)27-33-13-18-36(19-14-33)37-20-15-34(16-21-37)28-40(56)52(70)71/h3-5,9-10,13-22,26,30-31,39-43,45-46,62-64H,6-8,11-12,23-25,27-29,54-56H2,1-2H3,(H,57,68)(H,58,65)(H,59,67)(H,60,66)(H,70,71)(H,72,73)/t30-,31-,39+,40+,41+,42+,43+,45+,46+/m1/s1
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| InChIKey |
VGTTXQUWJIRLOZ-PMDNFMOISA-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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