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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL300138
CHEMBL300138
Compound Name ENZASTAURIN
ChEMBL Synonyms ENZASTAURIN | ENZASTAURIN HYDROCHLORIDE | LY-317615
Max Phase 3
Trade Names
Molecular Formula C32H29N5O2

Additional synonyms for CHEMBL300138 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cc(C2=C(C(=O)NC2=O)c3cn(C4CCN(Cc5ccccn5)CC4)c6ccccc36)c7c ...
Download SMILES
Standard InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(3 ...
Download InChI
Standard InChI Key AXRCEOKUDYDWLF-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL300138

Molecule Features

CHEMBL300138 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Protein kinase C beta inhibitor Protein kinase C beta PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
LYMPHOMA, T-CELL, CUTANEOUSD016410EFO:0002913CUTANEOUS T-CELL LYMPHOMA2ClinicalTrials
NEOPLASMSD009369EFO:0000311CANCER2ClinicalTrials
OVARIAN NEOPLASMSD010051EFO:0001075OVARIAN CARCINOMA2ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0001663PROSTATE CARCINOMA2ClinicalTrials
LUNG NEOPLASMSD008175EFO:0001071LUNG CARCINOMA2ClinicalTrials
LEUKEMIA, LYMPHOIDD007945EFO:0004289LYMPHOID LEUKEMIA1ClinicalTrials
LYMPHOMAD008223EFO:0000574LYMPHOMA3ClinicalTrials
LYMPHOMA, MANTLE-CELLD020522EFO:1001469MANTLE CELL LYMPHOMA2ClinicalTrials
LYMPHOMA, FOLLICULARD008224EFO:0000096NEOPLASM OF MATURE B-CELLS2ClinicalTrials
GLIOBLASTOMAD005909EFO:0000519GLIOBLASTOMA MULTIFORME3ClinicalTrials

Clinical Data

ClinicalTrials.gov ENZASTAURIN
The Cochrane Collaboration ENZASTAURIN

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 CHEMBL300138. 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
CHEMBL3616 Protein kinase C eta Homo sapiens 1.000
CHEMBL3045 Protein kinase C beta Homo sapiens 1.000
CHEMBL3582 Protein kinase C epsilon Homo sapiens 1.000
CHEMBL3604 Protein kinase C gamma Rattus norvegicus 1.000
CHEMBL2801 CaM kinase II delta Homo sapiens 1.000
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 1.000
CHEMBL2996 Protein kinase C delta Homo sapiens 1.000
CHEMBL299 Protein kinase C alpha Homo sapiens 1.000
CHEMBL2938 Protein kinase C gamma Homo sapiens 1.000
CHEMBL1980 Sodium channel protein type V alpha subunit Homo sapiens 1.000
CHEMBL3920 Protein kinase C theta Homo sapiens 0.995
CHEMBL4237 Ribosomal protein S6 kinase alpha 5 Homo sapiens 0.971
CHEMBL3906 Ribosomal protein S6 kinase alpha 2 Homo sapiens 0.924
CHEMBL4525 Serine/threonine-protein kinase 17A Homo sapiens 0.918
CHEMBL2345 Ribosomal protein S6 kinase alpha 3 Homo sapiens 0.869
CHEMBL1974 Tyrosine-protein kinase receptor FLT3 Homo sapiens 0.828
CHEMBL4225 Dual specificity protein kinase CLK2 Homo sapiens 0.696
CHEMBL2896 cGMP-dependent protein kinase 2 Homo sapiens 0.666
CHEMBL4708 Serine/threonine-protein kinase MST2 Homo sapiens 0.255



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2938 Protein kinase C gamma Homo sapiens 1.000
CHEMBL3604 Protein kinase C gamma Rattus norvegicus 1.000
CHEMBL3616 Protein kinase C eta Homo sapiens 1.000
CHEMBL3045 Protein kinase C beta Homo sapiens 1.000
CHEMBL3582 Protein kinase C epsilon Homo sapiens 1.000
CHEMBL2801 CaM kinase II delta Homo sapiens 1.000
CHEMBL262 Glycogen synthase kinase-3 beta Homo sapiens 1.000
CHEMBL3438 Protein kinase C zeta Homo sapiens 1.000
CHEMBL2996 Protein kinase C delta Homo sapiens 1.000
CHEMBL299 Protein kinase C alpha Homo sapiens 1.000
CHEMBL4597 Serine/threonine-protein kinase PCTAIRE-1 Homo sapiens 1.000
CHEMBL3055 Cyclin-dependent kinase 7 Homo sapiens 1.000
CHEMBL5284 CaM-kinase kinase beta Homo sapiens 1.000
CHEMBL5698 NUAK family SNF1-like kinase 2 Homo sapiens 1.000
CHEMBL6191 SPS1/STE20-related protein kinase YSK4 Homo sapiens 0.999
CHEMBL4924 Ribosomal protein S6 kinase alpha 6 Homo sapiens 0.999
CHEMBL5749 Mitogen-activated protein kinase kinase kinase kinase 1 Homo sapiens 0.999
CHEMBL3125 Ribosomal protein S6 kinase alpha 4 Homo sapiens 0.998
CHEMBL3830 Adaptor-associated kinase Homo sapiens 0.998
CHEMBL3920 Protein kinase C theta Homo sapiens 0.997

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
515.6 515.2321 4.32 5 72.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.88 7.61 7.88 7.44 5 39 0.35

Structural Alerts

There are 1 structural alerts for CHEMBL300138. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AXRCEOKUDYDWLF-UHFFFAOYSA-N
PubChem SID: 137275839 SID: 144206918 SID: 170465609
Wikipedia Enzastaurin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL300138



ACToR 170364-57-5
BindingDB 50128285
Brenda 25838
ChEBI 91368
eMolecules 31225824
EPA CompTox Dashboard DTXSID5044029
FDA SRS UC96G28EQF
Guide to Pharmacology 5693
IBM Patent System 7560F62691B3F176756DF5DB72FDA9D9
LINCS LSM-1069
MolPort MolPort-009-194-230
Nikkaji J1.692.444J
PubChem 176167
PubChem: Thomson Pharma 14811491
Selleck Enzastaurin
SureChEMBL SCHEMBL678748
ZINC ZINC000001494900

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