ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43452
CHEMBL43452
Compound Name POMALIDOMIDE
ChEMBL Synonyms POMALIDOMIDE | CC-4047 | IMID 3
Max Phase 4 (Approved)
Trade Names
Molecular Formula C13H11N3O4

Additional synonyms for CHEMBL43452 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Standard InChI InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4- ...
Download InChI
Standard InChI Key UVSMNLNDYGZFPF-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Manually Added Drugs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL43452

Molecule Features

CHEMBL43452 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
CRL4(CRBN) E3 ubiquitin ligase inhibitor CRL4(CRBN) E3 ubiquitin ligase PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
GRAFT VS HOST DISEASED006086EFO:0004599ACUTE GRAFT VS. HOST DISEASE2ClinicalTrials
PRIMARY MYELOFIBROSISD055728EFO:0002430PRIMARY MYELOFIBROSIS3ClinicalTrials
NEOPLASMSD009369EFO:0000616NEOPLASM1ClinicalTrials
SCLERODERMA, SYSTEMICD012595EFO:0000717SYSTEMIC SCLERODERMA2ClinicalTrials
MULTIPLE MYELOMAD009101EFO:0001378MULTIPLE MYELOMA4ClinicalTrials
DailyMed
MYELOPROLIFERATIVE DISORDERSD009196EFO:0004251MYELOPROLIFERATIVE DISORDER2ClinicalTrials
IMMUNE SYSTEM DISEASESD007154EFO:0000540IMMUNE SYSTEM DISEASE4ATC
SARCOMAD012509EFO:0000691SARCOMA2ClinicalTrials
TELANGIECTASIA, HEREDITARY HEMORRHAGICD013683Orphanet:774HEREDITARY HEMORRHAGIC TELANGIECTASIA1ClinicalTrials
SARCOMA, KAPOSID012514EFO:0000558KAPOSI'S SARCOMA1ClinicalTrials
ANEMIA, SICKLE CELLD000755Orphanet:232SICKLE CELL ANEMIA1ClinicalTrials

Clinical Data

ClinicalTrials.gov POMALIDOMIDE
The Cochrane Collaboration POMALIDOMIDE

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 CHEMBL43452. 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
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.298
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.266

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.266
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
273.2 273.075 -0.65 1 109.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.75 - -.71 -.71 1 20 0.52

Structural Alerts

There are 6 structural alerts for CHEMBL43452. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 - IMMUNOSUPPRESSANTS
L04A - IMMUNOSUPPRESSANTS
L04AX - Other immunosuppressants
L04AX06 - pomalidomide

ChemSpider ChemSpider:UVSMNLNDYGZFPF-UHFFFAOYSA-N
DailyMed pomalidomide
PubChem SID: 174007398
Wikipedia Pomalidomide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43452



ACToR 19171-19-8
ChEBI 72690
DrugBank DB08910
DrugCentral 4746
eMolecules 32278076
Guide to Pharmacology 7348
IBM Patent System AC3A7326240A5FEE40CEF82B288339E4
MolPort MolPort-016-633-239
Nikkaji J1.121.690K
PubChem 134780
PubChem: Drugs of the Future 50086901
PubChem: Thomson Pharma 14848461
Selleck Pomalidomide(CC-4047)
SureChEMBL SCHEMBL369172

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