Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0CF0Y
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| Former ID |
DNCL002778
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| Drug Name |
Rolapitant
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| Synonyms |
Rolapitant; 552292-08-7; Sch 619734; Varubi; UNII-NLE429IZUC; SCH-619734; NLE429IZUC; 914462-92-3; (5S,8S)-8-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one; (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one; Rolapitant [USAN:INN]; Varuby; Varubi (TN); Rolapitant (USAN/INN); Rolapitant(sch619734); SCHEMBL354305; GTPL5749; CHEMBL3707331; CHEBI:90908; DTXSID90203740; MolPort-035-942-975; EX-A1288; BCP09609; ZINC3816514
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| Drug Type |
Small molecular drug
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| Indication | Chemotherapy-induced nausea [ICD-11: MD90; ICD-10: R11] | Approved | [1], [2] | |
| Company |
TESARO
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| Structure |
 |
Download2D MOL
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| Formula |
C25H26F6N2O2
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| Canonical SMILES |
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC3(CCC(=O)N3)CN2)C4=CC=CC=C4
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| InChI |
1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1
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| InChIKey |
FIVSJYGQAIEMOC-ZGNKEGEESA-N
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| CAS Number |
CAS 552292-08-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:90908
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| ADReCS Drug ID | BADD_D01963 | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Substance-P receptor (TACR1) | Target Info | Antagonist | [3] |
| 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 | 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: 5749). | |||
| REF 2 | ClinicalTrials.gov (NCT01500213) A Safety and Efficacy Study of Rolapitant for the Prevention of Chemotherapy-Induced Nausea and Vomiting (CINV) in Subjects Receiving Highly Emetogenic Chemotherapy. U.S. National Institutes of Health. | |||
| REF 3 | Netupitant and palonosetron trigger NK1 receptor internalization in NG108-15 cells. Exp Brain Res. 2014 Aug;232(8):2637-44. | |||
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