Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| 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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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [528289] | ||
| Structure |
|
Download2D MOL |
|||
| 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=<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
|
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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 | |||||
| Target(s) | Sodium-dependent dopamine transporter | Target Info | Inhibitor | [528289] | |
| Pathway Interaction Database | Alpha-synuclein signaling | ||||
| References | |||||
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