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CHEBI:40953 - doramapimod

ChEBI IDCHEBI:40953
ChEBI Namedoramapimod
Stars
DefinitionA member of the class of pyrazoles that is an immunomodulator used for treatment of rheumatoid arthritis, Crohn's disease and psoriasis.
Last Modified14 July 2016
DownloadsMolfile
FormulaC31H37N5O3
Net Charge0
Average Mass527.669
Monoisotopic Mass527.28964
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
InChIKeyMVCOAUNKQVWQHZ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
Application:
immunomodulator  Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
ChEBI Ontology
Outgoing Relation(s)
doramapimod (CHEBI:40953) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
doramapimod (CHEBI:40953) has role immunomodulator (CHEBI:50846)
doramapimod (CHEBI:40953) is a aromatic ether (CHEBI:35618)
doramapimod (CHEBI:40953) is a morpholines (CHEBI:38785)
doramapimod (CHEBI:40953) is a naphthalenes (CHEBI:25477)
doramapimod (CHEBI:40953) is a pyrazoles (CHEBI:26410)
doramapimod (CHEBI:40953) is a ureas (CHEBI:47857)
IUPAC Name 
N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
INN  Source
doramapimodChemIDplus
Synonyms  Source
1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]ureaPDBeChem
1-(3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)ureaChemIDplus
BIRB-796ChemIDplus
BIRB 796ChemIDplus
Manual XrefsDatabases
B96PDBeChem
D03736KEGG DRUG
LSM-1170LINCS
Registry NumbersSources
Reaxys:9170597Reaxys
CAS:285983-48-4ChemIDplus
Citations