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Yorodumi- ChemComp-3NG: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3NG | ||||
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Name | Name: Wikipedia | Wikipedia - Silmitasertib: Silmitasertib (INN), codenamed CX-4945, is a small-molecule inhibitor of protein kinase CK2 (casein kinase II), a constitutively active serine/threonine-specific protein kinase that is overexpressed in several types of tumors.
| Silmitasertib is in clinical trials for use as an adjunct to chemotherapy in the treatment of cholangiocarcinoma (bile duct cancer), is in phase I and II clinical trials for the treatment of recurrent Sonic Hedgehog (SHH) medulloblastoma, and in preclinical development for other cancers, including hematological and lymphoid malignancies. In January 2017, it was granted orphan drug status by the U.S. Food and Drug Administration for advanced cholangiocarcinoma... Comment | chemotherapy, inhibitor*YM | |
-Chemical information
Composition | Formula: C19H12ClN3O2 / Number of atoms: 37 / Formula weight: 349.77 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3NG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3NGA | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
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