ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL103667
CHEMBL103667
Compound Name DORAMAPIMOD
ChEMBL Synonyms BIRB-796 | DORAMAPIMOD
Max Phase 2
Trade Names
Molecular Formula C31H37N5O3

Additional synonyms for CHEMBL103667 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)C(C)(C ...
Download SMILES
Standard InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36 ...
Download InChI
Standard InChI Key MVCOAUNKQVWQHZ-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • Clinical Candidates
  • PubChem BioAssays
  • Published Kinase Inhibitor Set 2
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL103667

Molecule Features

CHEMBL103667 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
MAP kinase p38 alpha inhibitor MAP kinase p38 alpha PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Arthritis, RheumatoidD001172EFO:0000685rheumatoid arthritis2ClinicalTrials
PsoriasisD011565EFO:0000676psoriasis2ClinicalTrials

Clinical Data

ClinicalTrials.gov DORAMAPIMOD
The Cochrane Collaboration DORAMAPIMOD

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL103667. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2336 MAP kinase p38 alpha Mus musculus 1.000
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 1.000
CHEMBL260 MAP kinase p38 alpha Homo sapiens 1.000
CHEMBL3234 Tyrosine-protein kinase HCK Homo sapiens 1.000
CHEMBL5469 Protein tyrosine kinase 2 beta Homo sapiens 0.996
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 0.977
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.915
CHEMBL5319 Epithelial discoidin domain-containing receptor 1 Homo sapiens 0.524
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.344
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.200



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2336 MAP kinase p38 alpha Mus musculus 1.000
CHEMBL4674 MAP kinase p38 gamma Homo sapiens 1.000
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 1.000
CHEMBL260 MAP kinase p38 alpha Homo sapiens 1.000
CHEMBL3234 Tyrosine-protein kinase HCK Homo sapiens 1.000
CHEMBL5469 Protein tyrosine kinase 2 beta Homo sapiens 1.000
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 0.880
CHEMBL4179 c-Jun N-terminal kinase 2 Homo sapiens 0.505
CHEMBL2073 Tyrosine-protein kinase YES Homo sapiens 0.463
CHEMBL3290 Ephrin type-B receptor 2 Homo sapiens 0.462
CHEMBL5319 Epithelial discoidin domain-containing receptor 1 Homo sapiens 0.415
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.372
CHEMBL3797 Serine-protein kinase ATM Homo sapiens 0.259
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.204

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
527.7 527.2896 5.99 7 80.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 2 8 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.46 6.42 4.44 4.39 4 39 0.31

Structural Alerts

There are no structural alerts for CHEMBL103667

Compound Cross References

ChemSpider ChemSpider:MVCOAUNKQVWQHZ-UHFFFAOYSA-N
PubChem SID: 103904828 SID: 124950164 SID: 144206937 SID: 170466618 SID: 50100090

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL103667



ACToR 285983-48-4
BindingDB 13533
Brenda 35436 11794 71116
ChEBI 40953
DrugBank DB03044
eMolecules 901477
EPA CompTox Dashboard DTXSID2048957
FDA SRS HO1A8B3YVV
Guide to Pharmacology 5668
IBM Patent System 8FF525C33BADCFF1F37A8BCDC7F57440
LINCS LSM-1170
MolPort MolPort-006-168-795
Nikkaji J1.719.293K
PDBe B96
PubChem 156422
PubChem: Drugs of the Future 136349968
PubChem: Thomson Pharma 14885325
Selleck BIRB-796-(Doramapimod)
SureChEMBL SCHEMBL129721
ZINC ZINC000024044436

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MVCOAUNKQVWQHZ-UHFFFAOYSA-N spacer
spacer