Drug General Information
Drug ID
D0FS4V
Former ID
DNC013049
Drug Name
Bip-tyr-thr-pro-thr(obzl)-gly
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528289]
Structure
Download
2D MOL

3D MOL

Formula
C50H61N7O12
Canonical SMILES
CC(C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)N)C(C(=O)NC(CC3=<br />CC=C(C=C3)O)C(=O)NC(C(C)O)C(=O)N4CCCC4C(=O)NC(C(C)OCC5=<br />CC=CC=C5)C(=O)NCC(=O)O)N
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
InChIKey
MGKWXTIOHURCAH-LZDYDXGASA-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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