ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL324547
CHEMBL324547
Compound Name NETAZEPIDE
ChEMBL Synonyms YF-476 | Netazepide | YF476
Max Phase 2
Trade Names
Molecular Formula C28H30N6O3

Additional synonyms for CHEMBL324547 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c4ccccc4N(CC(=O)C(C)(C)C ...
Download SMILES
Standard InChI InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22 ...
Download InChI
Standard InChI Key YDZYKNJZCVIKPP-VWLOTQADSA-N

Sources

  • Clinical Candidates
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL324547

Molecule Features

CHEMBL324547 compound icon
Drug Type:Oligopeptide Rule of Five:Y 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
Cholecystokinin B receptor antagonist Cholecystokinin B receptor PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Barrett EsophagusD001471EFO:0000280Barrett's esophagus2ClinicalTrials
Esophagitis, PepticD004942EFO:1001095peptic esophagitis1ClinicalTrials
Carcinoid TumorD002276EFO:0004243carcinoid tumor2ClinicalTrials
Zollinger-Ellison SyndromeD015043EFO:0007549Zollinger-Ellison Syndrome2ClinicalTrials

Clinical Data

ClinicalTrials.gov NETAZEPIDE
The Cochrane Collaboration NETAZEPIDE

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 CHEMBL324547. 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
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 1.000
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL3501 Cholecystokinin A receptor Cavia porcellus 0.227

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 1.000
CHEMBL298 Cholecystokinin B receptor Homo sapiens 1.000
CHEMBL1901 Cholecystokinin A receptor Homo sapiens 0.959

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
498.6 498.2379 4.07 6 115.79 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.38 4.77 4.47 4.46 3 37 0.47

Structural Alerts

There are 2 structural alerts for CHEMBL324547. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YDZYKNJZCVIKPP-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL324547



BindingDB 50056102
DrugBank DB12355
EPA CompTox Dashboard DTXSID00165906
FDA SRS HOU4I0G29C
Guide to Pharmacology 887
IBM Patent System 8F1B834CB59F953F0866991DEBAFAD02
Nikkaji J806.697C
PubChem 9870520
PubChem: Thomson Pharma 14835525 81078264
SureChEMBL SCHEMBL1387611
ZINC ZINC000003810905

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