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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1078983
CHEMBL1078983
Compound Name AZD-2014
ChEMBL Synonyms AZD-2014
Max Phase 2
Trade Names
Molecular Formula C25H31N5O4

Additional synonyms for CHEMBL1078983 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4C[C@@H](C)O[C@@H](C)C4)N5CC ...
Download SMILES
Standard InChI InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24 ...
Download InChI
Standard InChI Key RFSMUFRPPYDYRD-CALCHBBNSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1078983

Molecule Features

CHEMBL1078983 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

Mechanism of Action

Mechanism of Action ChEMBL Target References
Serine/threonine-protein kinase mTOR inhibitor Serine/threonine-protein kinase mTOR Other PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carcinoma, Renal CellD002292EFO:0000349clear cell renal carcinoma2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm2ClinicalTrials
Triple Negative Breast NeoplasmsD064726EFO:0005537triple-negative breast cancer1ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000707squamous cell carcinoma2ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000708squamous cell lung carcinoma2ClinicalTrials
MeningiomaD008579Orphanet:2495Meningioma2ClinicalTrials
Stomach NeoplasmsD013274EFO:0000503gastric adenocarcinoma2ClinicalTrials
AdenocarcinomaD000230EFO:0000228adenocarcinoma2ClinicalTrials
Endometrial NeoplasmsD016889EFO:1001512endometrial carcinoma1ClinicalTrials
Lymphoma, Large B-Cell, DiffuseD016403EFO:0000403diffuse large B-cell lymphoma1ClinicalTrials
NeoplasmsD009369EFO:0000311cancer2ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme1ClinicalTrials
Stomach NeoplasmsD013274EFO:0003897stomach neoplasm2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma1ClinicalTrials
Small Cell Lung CarcinomaD055752EFO:0000702small cell lung carcinoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov AZD-2014
The Cochrane Collaboration AZD-2014

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 CHEMBL1078983. 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
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 1.000
CHEMBL3142 DNA-dependent protein kinase Homo sapiens 0.990
CHEMBL1075104 Leucine-rich repeat serine/threonine-protein kinase 2 Homo sapiens 0.812

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2842 Serine/threonine-protein kinase mTOR Homo sapiens 1.000
CHEMBL4005 PI3-kinase p110-alpha subunit Homo sapiens 1.000
CHEMBL3142 DNA-dependent protein kinase Homo sapiens 0.999
CHEMBL1075104 Leucine-rich repeat serine/threonine-protein kinase 2 Homo sapiens 0.897
CHEMBL3145 PI3-kinase p110-beta subunit Homo sapiens 0.511
CHEMBL3267 PI3-kinase p110-gamma subunit Homo sapiens 0.326

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
465.6 465.2376 2.64 5 93.07 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.48 4.79 4.77 3 34 0.61

Structural Alerts

There are no structural alerts for CHEMBL1078983

Compound Cross References

ChemSpider ChemSpider:RFSMUFRPPYDYRD-CALCHBBNSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1078983



BindingDB 50310989
ChEBI 85572
ChemicalBook CB42468008
eMolecules 31206171
EPA CompTox Dashboard DTXSID50239782
FDA SRS 81HJG228AB
Guide to Pharmacology 9360
IBM Patent System 4F0735349C899AE92F0F5A583D7BE38D
LINCS LSM-5754
MolPort MolPort-018-493-667
Nikkaji J2.735.692C
PubChem 16736978
PubChem: Drugs of the Future 136350033
PubChem: Thomson Pharma 26695195
Selleck KU-0063794
SureChEMBL SCHEMBL290211
ZINC ZINC000049019448

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