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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL429876
CHEMBL429876
Compound Name CILENGITIDE
ChEMBL Synonyms EMD-12192 | CILENGITIDE | EMD-121974
Max Phase 3
Trade Names
Molecular Formula C27H40N8O7

Additional synonyms for CHEMBL429876 found using NCI Chemical Identifier Resolver

Sources

  • Clinical Candidates
  • Gene Expression Atlas Compounds
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Molecule Features

CHEMBL429876 compound icon
Drug Type:Oligopeptide Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Integrin alpha-V/beta-3 antagonist Integrin alpha-V/beta-3 PubMed PubMed
Integrin alpha-V/beta-5 antagonist Integrin alpha-V/beta-5 PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme3ClinicalTrials
GliomaD005910EFO:0000326central nervous system cancer2ClinicalTrials
Breast Neoplasms, MaleD018567EFO:0006861male breast carcinoma1ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
GliosarcomaD018316EFO:1001465gliosarcoma2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
SarcomaD012509EFO:0000691sarcoma1ClinicalTrials
AstrocytomaD001254EFO:0002499anaplastic astrocytoma2ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000707squamous cell carcinoma1ClinicalTrials
OligodendrogliomaD009837EFO:0002501anaplastic oligodendroglioma2ClinicalTrials

Clinical Data

ClinicalTrials.gov CILENGITIDE
The Cochrane Collaboration CILENGITIDE

HELM Notation

CHEMBL429876 HELM Notation
PEPTIDE1{[meV].R.G.D.[dF]}$PEPTIDE1,PEPTIDE1,5:R2-1:R1$$$

The ChEMBL HELM monomer library is available to download here.

For more details about HELM Notation, please visit the HELM Homepage.

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 CHEMBL429876. 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
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL2203 Motilin receptor Homo sapiens 1.000
CHEMBL4616 Ghrelin receptor Homo sapiens 1.000
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.983
CHEMBL3222 Delta opioid receptor Mus musculus 0.980
CHEMBL2878 Histone deacetylase 6 Mus musculus 0.969
CHEMBL204 Thrombin Homo sapiens 0.354
CHEMBL3769 Trypsin I Bos taurus 0.251
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.226



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2203 Motilin receptor Homo sapiens 1.000
CHEMBL4354 Mu opioid receptor Cavia porcellus 1.000
CHEMBL4616 Ghrelin receptor Homo sapiens 1.000
CHEMBL3222 Delta opioid receptor Mus musculus 1.000
CHEMBL2878 Histone deacetylase 6 Mus musculus 0.997
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.988
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.984
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.835
CHEMBL3310 Histone deacetylase 11 Homo sapiens 0.726
CHEMBL204 Thrombin Homo sapiens 0.600
CHEMBL325 Histone deacetylase 1 Homo sapiens 0.240

Compound Cross References

ChemSpider ChemSpider:AMLYAMJWYAIXIA-VWNVYAMZSA-N
Wikipedia Cilengitide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL429876



ACToR 188968-51-6
BindingDB 50235980
DrugBank DB11890
EPA CompTox Dashboard DTXSID9044035
FDA SRS 4EDF46E4GI
Guide to Pharmacology 6597
IBM Patent System 1301776DB04C4F521CE3A114605696A3
LINCS LSM-45233
MolPort MolPort-008-156-037 MolPort-035-395-751
Nikkaji J1.358.368D
PubChem 176873
PubChem: Drugs of the Future 12015138
PubChem: Thomson Pharma 14764661 14886950
Selleck cilengitide-emd-121974-nsc-707544
SureChEMBL SCHEMBL34082
ZINC ZINC000003952216

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