Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Y2ZC
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| Former ID |
DIB020506
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| Drug Name |
ND-2110
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| Synonyms |
CHEMBL3361254; 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide; ND-2110; GTPL8082; SCHEMBL15228032; SCHEMBL10344171; BDBM50040806; ZINC299825077; 2-[(3R)-12-{[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]oxy}-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide
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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 |
C21H28N4O3S
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| Canonical SMILES |
C1CC(CCC1N2CCOCC2)OC3=C4C5=C(CCC5CC(=O)N)SC4=NC=N3
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| InChI |
1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14?,15?/m1/s1
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| InChIKey |
VZOLINZYKOLXAC-WLYUNCDWSA-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: 8082). | |||
| 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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