Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0CB8W
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| Former ID |
DIB010876
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| Drug Name |
DE-081
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| Synonyms |
Apafant; 105219-56-5; WEB-2086; Web 2086; Apafant [USAN:INN]; Apafantum [INN-Latin]; Apafanto [INN-Spanish]; WEB 2086BS; WEB2086; UNII-J613NI05SV; WEB 2086 BS; BRN 4302553; C22H22ClN5O2S; J613NI05SV; CHEMBL280164; NCGC00092377-03; NCGC00092377-02; Apafantum; Apafanto; DSSTox_CID_28900; DSSTox_RID_83168; DSSTox_GSID_48974; 4-(3-(4-(o-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepin-2-yl)propionyl)morpholine; [3H]apafant; Morpholine; Apafant (ophthalmic formulation), Santen
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| Drug Type |
Small molecular drug
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| Indication | Conjunctivitis [ICD-11: 9A60; ICD-9: 372] | Discontinued in Phase 2 | [1] | |
| Ocular allergy [ICD-11: 4A81] | Terminated | [2], [3] | ||
| Company |
Santen Pharmaceutical Co Ltd
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| Structure |
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Download2D MOL |
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| Formula |
C22H22ClN5O2S
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| Canonical SMILES |
CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl
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| InChI |
1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
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| InChIKey |
JGPJQFOROWSRRS-UHFFFAOYSA-N
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| CAS Number |
CAS 105219-56-5
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:92490
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Platelet-activating factor receptor (PTAFR) | Target Info | Modulator | [3], [4], [5] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Staphylococcus aureus infection | ||||
| NetPath Pathway | IL5 Signaling Pathway | |||
| Leptin Signaling Pathway | ||||
| Reactome | Class A/1 (Rhodopsin-like receptors) | |||
| G alpha (q) signalling events | ||||
| Interferon gamma signaling | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Small Ligand GPCRs | ||||
| Interferon gamma signaling | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000113) | |||
| REF 2 | 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: 1860). | |||
| REF 3 | Emerging drugs for ocular allergy. Expert Opin Emerg Drugs. 2005 Aug;10(3):505-20. | |||
| REF 4 | Characterization of [3H]apafant binding to PAF receptor on rabbit platelet membranes: a comparison of a microplate filtration system and a standard... J Pharmacol Toxicol Methods. 1996 Sep;36(1):53-62. | |||
| REF 5 | A radioreceptor binding assay for platelet-activating factor (PAF) using membranes from CHO cells expressing human PAF receptor. J Immunol Methods. 1995 Oct 26;186(2):225-31. | |||
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