Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0K0CJ
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| Former ID |
DNC004243
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| Drug Name |
F-G-G-F-T-G-Aib-R-K-S-A-R-K-L-A-N-Q-COOH
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| Indication | Discovery agent | Investigative | [526456] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C80H131N27O22
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| Canonical SMILES |
CCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC<br />(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O<br />)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)CNC<br />(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(<br />CC2=CC=CC=C2)N
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| InChI |
1S/C80H131N27O22/c1-7-49(97-63(114)40-94-77(127)64(45(6)109)107-75(125)56(36-47-22-12-9-13-23-47)98-62(113)39-92-61(112)38-93-67(117)48(83)35-46-20-10-8-11-21-46)68(118)100-53(27-19-33-91-80(88)89)70(120)102-51(25-15-17-31-82)72(122)106-58(41-108)76(126)96-43(4)65(115)99-52(26-18-32-90-79(86)87)69(119)101-50(24-14-16-30-81)71(121)105-55(34-42(2)3)73(123)95-44(5)66(116)104-57(37-60(85)111)74(124)103-54(78(128)129)28-29-59(84)110/h8-13,20-23,42-45,48-58,64,108-109H,7,14-19,24-41,81-83H2,1-6H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,117)(H,94,127)(H,95,123)(H,96,126)(H,97,114)(H,98,113)(H,99,115)(H,100,118)(H,101,119)(H,102,120)(H,103,124)(H,104,116)(H,105,121)(H,106,122)(H,107,125)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1
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| InChIKey |
XQBWITORWNZMQG-KMOVSZGYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Nociceptin receptor | Target Info | Inhibitor | [526456] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| References | |||||
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