Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04CFM
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| Former ID |
DIB020507
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| Drug Name |
ND-2158
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| Synonyms |
CHEMBL3361255; ND-2158; GTPL8083; SCHEMBL15227691; SCHEMBL15115519; BDBM50040805
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C22H30N4O4S
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| Canonical SMILES |
C1CC(CCC1N2CCOCC2)OC3=C4C5=C(CCC5CC(C(=O)N)O)SC4=NC=N3
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| InChI |
1S/C22H30N4O4S/c23-20(28)16(27)11-13-1-6-17-18(13)19-21(24-12-25-22(19)31-17)30-15-4-2-14(3-5-15)26-7-9-29-10-8-26/h12-16,27H,1-11H2,(H2,23,28)/t13-,14?,15?,16+/m1/s1
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| InChIKey |
ZSMULWAVKYFPSS-LMPOIIKSSA-N
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| PubChem Compound ID | ||||
| 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: 8083). | |||
| REF 2 | Recent advances in the discovery of small molecule inhibitors of interleukin-1 receptor-associated kinase 4 (IRAK4) as a therapeutic target for inflammation and oncology disorders. J Med Chem. 2015 Jan 8;58(1):96-110. | |||
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