Drug Information

Drug General Information
Drug ID
D01NPA
Former ID
DIB020521
Drug Name
neurokinin A
Synonyms
substance K
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539322]
Structure
Download
2D MOL
Formula
C50H80N14O14S
InChI
InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1
InChIKey
HEAUFJZALFKPBA-JPQUDPSNSA-N
PubChem Compound ID
5311311
PubChem Substance ID
7980109, 11056432, 14817011, 39341007, 77383965, 103360897, 103915912, 114155802, 135651810, 241151350, 241182177, 241375253, 249617257
Target and Pathway
Target(s) Nigral tachykinin NK(3) receptor Target Info Agonist [525988]
Substance-P receptor Target Info Agonist [534404]
NK-2 receptor Target Info Agonist [525944]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interactionhsa04020: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 eventsR-HSA-416476:G alpha (q) signalling events
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP706:SIDS Susceptibility Pathways
Spinal Cord Injury
GPCR downstream signalingWP2664:Gastrin-CREB signalling pathway via PKC and MAPK
GPCR downstream signaling
References
Ref 539322(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: 2089).
Ref 525944Structure-activity relationships of neurokinin A (4-10) at the human tachykinin NK(2) receptor: the role of natural residues and their chirality. Biochem Pharmacol. 2001 Jan 1;61(1):55-60.
Ref 525988Molecular and pharmacological characterization of the murine tachykinin NK(3) receptor. Eur J Pharmacol. 2001 Feb 16;413(2-3):143-50.
Ref 534404Nonpeptide tachykinin receptor antagonists: I. Pharmacological and pharmacokinetic characterization of SB 223412, a novel, potent and selective neurokinin-3 receptor antagonist. J Pharmacol Exp Ther.1997 Jun;281(3):1303-11.

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