CHEBI:40953 - doramapimod

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ChEBI Name doramapimod
ChEBI ID CHEBI:40953
Definition A member of the class of pyrazoles that is an immunomodulator used for treatment of rheumatoid arthritis, Crohn's disease and psoriasis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H37N5O3
Net Charge 0
Average Mass 527.658
Monoisotopic Mass 527.290
InChI InChI=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)
InChIKey MVCOAUNKQVWQHZ-UHFFFAOYSA-N
SMILES C(=O)(NC=1N(N=C(C1)C(C)(C)C)C=2C=CC(=CC2)C)NC=3C4=C(C=CC=C4)C(=CC3)OCCN5CCOCC5
Roles Classification
Biological Role(s): 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(s): immunomodulator
Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
doramapimod ChemIDplus
Synonyms Sources
1-(3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)urea ChemIDplus
1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea PDBeChem
BIRB 796 ChemIDplus
BIRB-796 ChemIDplus
Manual Xrefs Databases
B96 PDBeChem
D03736 KEGG DRUG
LSM-1170 LINCS
View more database links
Registry Numbers Types Sources
285983-48-4 CAS Registry Number ChemIDplus
9170597 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11896401 PubMed citation Europe PMC
19244237 PubMed citation Europe PMC
20655210 PubMed citation Europe PMC
23685672 PubMed citation Europe PMC
25358442 PubMed citation Europe PMC
25589935 PubMed citation Europe PMC
26044359 PubMed citation Europe PMC
26232862 PubMed citation Europe PMC
Last Modified
14 July 2016