Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0UO2Q
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| Former ID |
DIB019057
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| Drug Name |
calhex 231
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| Synonyms |
calhex-231
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C25H27ClN2O
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| Canonical SMILES |
CC(C1=CC=CC2=CC=CC=C21)NC3CCCCC3NC(=O)C4=CC=C(C=C4)Cl
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| 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
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| InChIKey |
YTFUQWWKTIWYEY-CQLNOVPUSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Extracellular calcium-sensing receptor (CASR) | Target Info | Modulator (allosteric modulator) | [2] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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 2 | 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. | |||
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