doramapimod

Ligand id: 5668

Name: doramapimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 80.65
Molecular weight 527.29
XLogP 6.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
International Nonproprietary Names
INN number INN
8325 doramapimod
Synonyms
BIRB 796BS | BIRB-796 | BIRB796
Database Links
CAS Registry No. 285983-48-4
ChEMBL Ligand CHEMBL103667
PubChem CID 156422
RCSB PDB Ligand B96
Search Google for chemical match using the InChIKey MVCOAUNKQVWQHZ-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey MVCOAUNKQVWQHZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MVCOAUNKQVWQHZ
Comments
Doramapimod is an allosteric p38 MAP kinase inhibitor [2-3].