Drug Information

Drug General Information
Drug ID
D07NNN
Former ID
DNC004401
Drug Name
NEUROKININ B
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539324]
Structure
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2D MOL

3D MOL
Formula
C55H79N13O14S2
InChI
InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
InChIKey
NHXYSAFTNPANFK-HDMCBQFHSA-N
PubChem Compound ID
5311312
PubChem Substance ID
7980110, 11056433, 14939442, 24738259, 39341008, 47205408, 50208162, 103224467, 103971664, 114155805, 134341606, 135651811, 223445340, 241182546, 241375515, 249617345
Target and Pathway
Target(s) Nigral tachykinin NK(3) receptor Target Info Inhibitor [551267]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Reactome G alpha (q) signalling events
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 539324(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: 2090).
Ref 551267The rational development of small molecule tachykinin NK3 receptor selective antagonists - the utilisation of a dipeptide chemical library in drug design, Bioorg. Med. Chem. Lett. 4(14):1679-1684 (1994).

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