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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1090089
CHEMBL1090089
Compound Name PAMAPIMOD
ChEMBL Synonyms R1503 | R-1503 | JTT-705 | Ro-4402257 | PAMAPIMOD
Max Phase 2
Trade Names
Molecular Formula C19H20F2N4O4

Additional synonyms for CHEMBL1090089 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(=O)C(=Cc2cnc(NC(CCO)CCO)nc12)Oc3ccc(F)cc3F
Standard InChI InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-2 ...
Download InChI
Standard InChI Key JYYLVUFNAHSSFE-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1090089

Molecule Features

CHEMBL1090089 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y 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

Clinical Data

ClinicalTrials.gov PAMAPIMOD
The Cochrane Collaboration PAMAPIMOD

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 CHEMBL1090089. 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
CHEMBL260 MAP kinase p38 alpha Homo sapiens 1.000
CHEMBL3961 MAP kinase p38 beta Homo sapiens 1.000
CHEMBL1163125 Bromodomain-containing protein 4 Homo sapiens 0.841

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL260 MAP kinase p38 alpha Homo sapiens 1.000
CHEMBL2276 c-Jun N-terminal kinase 1 Homo sapiens 0.993
CHEMBL3961 MAP kinase p38 beta Homo sapiens 0.986
CHEMBL5938 Serine/threonine-protein kinase PLK2 Homo sapiens 0.980
CHEMBL3125 Ribosomal protein S6 kinase alpha 4 Homo sapiens 0.954
CHEMBL1163125 Bromodomain-containing protein 4 Homo sapiens 0.495

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
406.4 406.1453 1.94 8 109.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.55 1.11 1.11 3 29 0.52

Structural Alerts

There are 3 structural alerts for CHEMBL1090089. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JYYLVUFNAHSSFE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1090089



ACToR 449811-01-2
BindingDB 50314070
ChEBI 90685
eMolecules 31593195
FDA SRS 8S2C9V11K4
Guide to Pharmacology 9915
IBM Patent System 32BE98DAA914CFCDE1FF709AAC800FB1
MolPort MolPort-044-560-378
PDBe FLW
PubChem 16220188
PubChem: Thomson Pharma 24902589
SureChEMBL SCHEMBL3636701
ZINC ZINC000030691792

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