Drug Information

Drug General Information
Drug ID
D0D2JB
Former ID
DIB020125
Drug Name
kassinin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539321]
Structure
Download
2D MOL
Formula
C59H95N15O18S
InChI
InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81)
InChIKey
NXTPETCPVNEEOP-UHFFFAOYSA-N
PubChem Compound ID
45749
PubChem Substance ID
34710888, 50070594, 50071203, 50537053, 57313010, 85074596, 104348393, 126417385, 131342517, 135006405, 135652240, 179293925
Target and Pathway
Target(s) Substance-P receptor Target Info Agonist [534153]
Nigral tachykinin NK(3) receptor Target Info Agonist [534153]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measleshsa04020:Calcium signaling pathway
PANTHER Pathway CCKR signaling map ST
Reactome G alpha (q) signalling eventsR-HSA-416476:G alpha (q) signalling events
WikiPathways SIDS Susceptibility Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP2664:Gastrin-CREB signalling pathway via PKC and MAPK
GPCR downstream signaling
References
Ref 539321(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2088).
Ref 534153The unpredicted high affinities of a large number of naturally occurring tachykinins for chimeric NK1/NK3 receptors suggest a role for an inhibitory domain in determining receptor specificity. J BiolChem. 1996 Aug 23;271(34):20250-7.

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