Drug General Information
Drug ID
D0U6PD
Former ID
DNC013054
Drug Name
Bip-tyr-ala-pro-lys-thr(obzl)-gly
Indication Discovery agent Investigative [528289]
Structure
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2D MOL

3D MOL

Formula
C54H69N9O12
Canonical SMILES
CC(C(C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(C)<br />NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=C(C=C3)C4=CC=C(C<br />=C4)CC(C(=O)O)N)N)OCC5=CC=CC=C5
InChI
1S/C54H69N9O12/c1-32(53(72)63-26-8-12-45(63)51(70)60-43(11-6-7-25-55)49(68)62-47(52(71)58-30-46(65)66)33(2)75-31-37-9-4-3-5-10-37)59-50(69)44(29-36-17-23-40(64)24-18-36)61-48(67)41(56)27-34-13-19-38(20-14-34)39-21-15-35(16-22-39)28-42(57)54(73)74/h3-5,9-10,13-24,32-33,41-45,47,64H,6-8,11-12,25-31,55-57H2,1-2H3,(H,58,71)(H,59,69)(H,60,70)(H,61,67)(H,62,68)(H,65,66)(H,73,74)/t32-,33+,41-,42-,43-,44-,45-,47-/m0/s1
InChIKey
WWXCYGORDIEWIZ-YAXCISKESA-N
PubChem Compound ID
Target and Pathway
Target(s) Sodium-dependent dopamine transporter Target Info Inhibitor [528289]
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
Ref 528289J Med Chem. 2006 Jul 13;49(14):4048-51.Development of peptidic dopamine transporter inhibitors via aromatic modification-mediated conformational restriction.
Ref 528289J Med Chem. 2006 Jul 13;49(14):4048-51.Development of peptidic dopamine transporter inhibitors via aromatic modification-mediated conformational restriction.

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