Drug Information

Drug General Information
Drug ID
D0J8SU
Former ID
DNC004269
Drug Name
Substance P
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539328]
Structure
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2D MOL

3D MOL
Formula
C63H98N18O13S
InChI
InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKey
ADNPLDHMAVUMIW-CUZNLEPHSA-N
PubChem Compound ID
36511
PubChem Substance ID
650627, 14890642, 34677952, 50048187, 50112420, 77820088, 103538528, 103915915, 104324228, 117568894, 134346412, 134999114, 135651888, 137239514, 137275539, 162223926, 227357862, 241182181, 241375257, 249617258, 252469376
Target and Pathway
Target(s) Substance-P receptor Target Info Inhibitor [534785]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Measles
PANTHER Pathway CCKR signaling map ST
Reactome 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 signaling
References
Ref 539328(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: 2098).
Ref 534785Bioorg Med Chem Lett. 1998 Feb 3;8(3):281-4.Synthesis and structure-activity relationships of CP-122,721, a second-generation NK-1 receptor antagonist.

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