Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0FS4V
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| Former ID |
DNC013049
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| Drug Name |
Bip-tyr-thr-pro-thr(obzl)-gly
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| Synonyms |
CHEMBL374492; bip-tyr-thr-pro-thr(obzl)-gly
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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 |
C50H61N7O12
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| Canonical SMILES |
CC(C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)N)C(C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(C(C)O)C(=O)N4CCCC4C(=O)NC(C(C)OCC5=CC=CC=C5)C(=O)NCC(=O)O)N
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| InChI |
1S/C50H61N7O12/c1-28(34-17-19-36(20-18-34)35-15-11-31(12-16-35)24-38(51)50(67)68)42(52)47(64)54-39(25-32-13-21-37(59)22-14-32)45(62)55-43(29(2)58)49(66)57-23-7-10-40(57)46(63)56-44(48(65)53-26-41(60)61)30(3)69-27-33-8-5-4-6-9-33/h4-6,8-9,11-22,28-30,38-40,42-44,58-59H,7,10,23-27,51-52H2,1-3H3,(H,53,65)(H,54,64)(H,55,62)(H,56,63)(H,60,61)(H,67,68)/t28?,29-,30-,38+,39+,40+,42+,43+,44+/m1/s1
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| InChIKey |
MGKWXTIOHURCAH-LZDYDXGASA-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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