TTD | Drug: D00CQB

Drug General Information
Drug ID	D00CQB
Former ID	DNC000426
Drug Name	CI-1021
Drug Type	Small molecular drug
Indication	Discovery agent		Terminated	[546490]
Structure		Download 2D MOL 3D MOL
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 546490	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008532)
Ref 535587	Gabapentin 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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Drug Information