Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0J7HS
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| Former ID |
DNC014382
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| Drug Name |
AGTAD[CFWKYC]V
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| Indication | Discovery agent | Investigative | [530610] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C62H84N14O17S2
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| Canonical SMILES |
CC(C)C(C(=O)O)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=<br />O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCCN)CC3=CNC4=CC=CC=C43)C<br />C5=CC=CC=C5)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C(C)O)NC(<br />=O)CNC(=O)C(C)N
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| InChI |
1S/C62H84N14O17S2/c1-31(2)50(62(92)93)76-60(90)47-30-95-94-29-46(73-58(88)45(26-49(80)81)69-53(83)33(4)67-61(91)51(34(5)77)75-48(79)28-66-52(82)32(3)64)59(89)71-42(23-35-13-7-6-8-14-35)55(85)72-44(25-37-27-65-40-16-10-9-15-39(37)40)57(87)68-41(17-11-12-22-63)54(84)70-43(56(86)74-47)24-36-18-20-38(78)21-19-36/h6-10,13-16,18-21,27,31-34,41-47,50-51,65,77-78H,11-12,17,22-26,28-30,63-64H2,1-5H3,(H,66,82)(H,67,91)(H,68,87)(H,69,83)(H,70,84)(H,71,89)(H,72,85)(H,73,88)(H,74,86)(H,75,79)(H,76,90)(H,80,81)(H,92,93)/t32-,33-,34+,41-,42-,43-,44-,45-,46-,47-,50-,51-/m0/s1
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| InChIKey |
YNQKMDDGZLLKHF-SYGGZGJOSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Urotensin II receptor | Target Info | Inhibitor | [530610] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| References | |||||
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