Drug General Information
Drug ID
D0J7HS
Former ID
DNC014382
Drug Name
AGTAD[CFWKYC]V
Indication Discovery agent Investigative [530610]
Structure
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2D MOL

3D MOL

Formula
C62H84N14O17S2
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
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
InChIKey
YNQKMDDGZLLKHF-SYGGZGJOSA-N
PubChem Compound ID
Target and Pathway
Target(s) Urotensin II receptor Target Info Inhibitor [530610]
KEGG Pathway Neuroactive ligand-receptor interaction
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 530610J Med Chem. 2010 Apr 8;53(7):2695-708.Urotensin-II receptor modulators as potential drugs.
Ref 530610J Med Chem. 2010 Apr 8;53(7):2695-708.Urotensin-II receptor modulators as potential drugs.

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