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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336325
CHEMBL2336325
Compound Name VISTUSERTIB
ChEMBL Synonyms VISTUSERTIB | AZD2014 | AZD-2014
Max Phase 2
Trade Names
Molecular Formula C25H30N6O3

Additional synonyms for CHEMBL2336325 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H ...
Download SMILES
Standard InChI InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5 ...
Download InChI
Standard InChI Key JUSFANSTBFGBAF-IRXDYDNUSA-N

Sources

  • BindingDB Database
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2336325

Molecule Features

CHEMBL2336325 compound icon
Drug Type:Synthetic Small Molecule 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
Urinary Bladder NeoplasmsD001749EFO:0000292bladder carcinoma1ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma1ClinicalTrials

Clinical Data

ClinicalTrials.gov VISTUSERTIB
The Cochrane Collaboration VISTUSERTIB

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 CHEMBL2336325. 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
CHEMBL2842 Serine/threonine-protein kinase mTOR Homo sapiens 1.000
CHEMBL5024 Serine-protein kinase ATR Homo sapiens 1.000
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 0.993

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2842 Serine/threonine-protein kinase mTOR Homo sapiens 1.000
CHEMBL5024 Serine-protein kinase ATR Homo sapiens 1.000
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
462.6 462.2379 2.5 4 92.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 0 9 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.77 5.05 5.04 3 34 0.63

Structural Alerts

There are no structural alerts for CHEMBL2336325

Compound Cross References

ChemSpider ChemSpider:JUSFANSTBFGBAF-IRXDYDNUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336325



BindingDB 50429701
ChemicalBook CB02604239
DrugBank DB11925
EPA CompTox Dashboard DTXSID20143584
FDA SRS 0BSC3P4H5X
Guide to Pharmacology 7699
IBM Patent System EB6AFC1AE21732C2730072E280B48F38
LINCS LSM-45472
MolPort MolPort-023-293-553
PubChem 25262792
PubChem: Thomson Pharma 58097037
Selleck azd2014
SureChEMBL SCHEMBL290672
ZINC ZINC000059258964

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