TTD | Drug: D0UO2Q

Drug General Information
Drug ID	D0UO2Q
Former ID	DIB019057
Drug Name	calhex 231
Synonyms	calhex-231
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[542147]
Structure		Download 2D MOL
Formula	C25H27ClN2O
InChI	InChI=1S/C25H27ClN2O/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)27-23-11-4-5-12-24(23)28-25(29)19-13-15-20(26)16-14-19/h2-3,6-10,13-17,23-24,27H,4-5,11-12H2,1H3,(H,28,29)/t17-,23+,24+/m1/s1
InChIKey	YTFUQWWKTIWYEY-CQLNOVPUSA-N
PubChem Compound ID	11849514
PubChem Substance ID	29278206, 53863833, 79607525, 135650048, 162890829, 249069521
Target and Pathway
Target(s)	Extracellular calcium-sensing receptor	Target Info	Modulator (allosteric modulator)	[526833]
Pathway Interaction Database	E-cadherin signaling in keratinocytes
Reactome	G alpha (q) signalling events
	G alpha (i) signalling events
	Class C/3 (Metabotropic glutamate/pheromone receptors)
WikiPathways	GPCRs, Class C Metabotropic glutamate, pheromone
	Gastrin-CREB signalling pathway via PKC and MAPK
	GPCR ligand binding
	GPCR downstream signaling
References
Ref 542147	(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: 714).
Ref 526833	Modeling and mutagenesis of the binding site of Calhex 231, a novel negative allosteric modulator of the extracellular Ca(2+)-sensing receptor. J Biol Chem. 2003 Dec 5;278(49):49487-94. Epub 2003 Sep 23.

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Drug Information