Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0EK9K
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| Former ID |
DIB004991
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| Drug Name |
Sch-900875
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| Synonyms |
CXCR3 antagonists (inflammatory diseases), Schering-Plough/Ligand/Merck & Co
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| Indication | Inflammation [ICD-11: 1A00-CA43.1] | Investigative | [1] | |
| Company |
Ligand Pharmaceuticals Inc
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| Structure |
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Download2D MOL |
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| Formula |
C28H37ClN8O2
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| Canonical SMILES |
CCC1CN(C(CN1C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)C)C4=NC=C(N=C4C)C5=NN=C(O5)NCC
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| InChI |
1S/C28H37ClN8O2/c1-5-22-17-36(25-19(4)32-24(15-31-25)26-33-34-28(39-26)30-6-2)18(3)16-37(22)23-11-13-35(14-12-23)27(38)20-7-9-21(29)10-8-20/h7-10,15,18,22-23H,5-6,11-14,16-17H2,1-4H3,(H,30,34)/t18-,22+/m1/s1
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| InChIKey |
MDHIGNOFHUSPMA-GCJKJVERSA-N
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| CAS Number |
CAS 907206-98-8
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-X-C chemokine receptor type 3 (CXCR3) | Target Info | Antagonist | [1] |
| KEGG Pathway | Cytokine-cytokine receptor interaction | |||
| Chemokine signaling pathway | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Pathway Interaction Database | CXCR3-mediated signaling events | |||
| Reactome | Chemokine receptors bind chemokines | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| 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. (Target id: 70). | |||
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