Drug Information

Drug General Information
Drug ID
D00CQB
Former ID
DNC000426
Drug Name
CI-1021
Drug Type
Small molecular drug
Indication Discovery agent Terminated [546490]
Formula
C28H28N8O6
Canonical SMILES
CC(=NN=C(N)N)C=NN=C(N)N.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(<br />=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
InChI
1S/C23H16O6.C5H12N8/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-3(11-13-5(8)9)2-10-12-4(6)7/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2H,1H3,(H4,6,7,12)(H4,8,9,13)/b;10-2+,11-3+
InChIKey
SPVOILUIOYZRLD-CWPRPSLWSA-N
CAS Number
CAS 13922-04-8
PubChem Compound ID
9578787
PubChem Substance ID
400706, 794578, 44716690, 79700053, 134339609, 134339854, 135236747
Target and Pathway
Target(s) Substance-P receptor Target Info Antagonist [535587]
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 546490Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008532)
Ref 535587Gabapentin and the neurokinin(1) receptor antagonist CI-1021 act synergistically in two rat models of neuropathic pain. J Pharmacol Exp Ther. 2002 Nov;303(2):730-5.

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