Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C31H37N5O3.ClH |
| Molecular Weight | 564.118 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC1=CC=C(C=C1)N2N=C(C=C2NC(=O)NC3=CC=C(OCCN4CCOCC4)C5=C3C=CC=C5)C(C)(C)C
InChI
InChIKey=WVPYACKQYUYZGC-UHFFFAOYSA-N
InChI=1S/C31H37N5O3.ClH/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);1H
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C31H37N5O3 |
| Molecular Weight | 527.6572 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
DescriptionCurator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/15755732 | https://www.ncbi.nlm.nih.gov/pubmed/11937566 | https://trials.boehringer-ingelheim.com/trial_results/clinical_trials_overview/clinical_trial_result.c=n.i=68.html
Curator's Comment: Description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/15755732 | https://www.ncbi.nlm.nih.gov/pubmed/11937566 | https://trials.boehringer-ingelheim.com/trial_results/clinical_trials_overview/clinical_trial_result.c=n.i=68.html
Doramapimod (BIRB-796) is a p38 MAPK inhibitor, relatively potent against alpha isoform. Oral doramapimod exerts anti-inflammatory potential in humans in vivo. Doramapimod has entered clinical trials for the treatment of autoimmune diseases.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL260 |
0.1 nM [Kd] | ||
Target ID: CHEMBL3961 |
65.0 nM [IC50] | ||
Target ID: CHEMBL4674 |
0.2 µM [IC50] | ||
Target ID: CHEMBL2939 |
0.52 µM [IC50] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry. | 2010 Nov 24 |
|
| Comprehensive analysis of kinase inhibitor selectivity. | 2011 Oct 30 |
|
| Gene expression profiles in engineered cardiac tissues respond to mechanical loading and inhibition of tyrosine kinases. | 2013 Oct |
Sample Use Guides
A randomised, parallel, double-blind, placebo-controlled study investigated efficacy and safety of different doses (5, 10, 20 and 30 mg) of doramapimod (BIRB-796) administered twice a day orally over 4 weeks in patients with active rheumatoid arthritis
Route of Administration:
Oral
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:31:13 GMT 2023
by
admin
on
Sat Dec 16 10:31:13 GMT 2023
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| Record UNII |
X9BAM4UVNT
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| Record Status |
Validated (UNII)
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| Record Version |
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1283526-53-3
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68107492
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ACTIVE MOIETY |