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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:40953 - doramapimod
Main
ChEBI Ontology
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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
Download
Molfile
XML
SDF
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Molfile
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Formula
C31H37N5O3
Net Charge
0
Average Mass
527.658
Monoisotopic Mass
527.28964
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)-
1
H
-
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
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