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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL603469
CHEMBL603469
Compound Name LESTAURTINIB
ChEMBL Synonyms CEP-701 | LESTAURTINIB | SPM-924 | SP-924 | KT-555 | A-154475.0 | KT5555 | A-154475 | SP924
Max Phase 3
Trade Names
Molecular Formula C26H21N3O4

Additional synonyms for CHEMBL603469 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12O[C@H](C[C@]1(O)CO)n3c4ccccc4c5c6C(=O)NCc6c7c8ccccc8n ...
Download SMILES
Standard InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4- ...
Download InChI
Standard InChI Key UIARLYUEJFELEN-LROUJFHJSA-N

Sources

  • Clinical Candidates
  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL603469

Molecule Features

CHEMBL603469 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
NT-3 growth factor receptor inhibitor NT-3 growth factor receptor PubMed
Nerve growth factor receptor Trk-A inhibitor Nerve growth factor receptor Trk-A PubMed
Neurotrophic tyrosine kinase receptor type 2 inhibitor Neurotrophic tyrosine kinase receptor type 2 PubMed
Tyrosine-protein kinase JAK2 inhibitor Tyrosine-protein kinase JAK2 PubMed
Tyrosine-protein kinase receptor FLT3 inhibitor Tyrosine-protein kinase receptor FLT3 PubMed
Tyrosine-protein kinase receptor RET inhibitor Tyrosine-protein kinase receptor RET PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
LeukemiaD007938EFO:0000565leukemia2ClinicalTrials
Polycythemia VeraD011087EFO:0002429polycythemia vera2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
Thrombocythemia, EssentialD013920EFO:0000479essential thrombocythemia2ClinicalTrials
NeuroblastomaD009447EFO:0000621neuroblastoma1ClinicalTrials
PsoriasisD011565EFO:0000676psoriasis2ClinicalTrials
Primary MyelofibrosisD055728EFO:0002430primary myelofibrosis1ClinicalTrials
Leukemia, Myeloid, AcuteD015470EFO:0000222acute myeloid leukemia2ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials

Clinical Data

ClinicalTrials.gov LESTAURTINIB
The Cochrane Collaboration LESTAURTINIB

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 CHEMBL603469. 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
CHEMBL2428 Myosin light chain kinase, smooth muscle Homo sapiens 1.000
CHEMBL2708 Mitogen-activated protein kinase kinase kinase 11 Homo sapiens 1.000
CHEMBL2872 Mitogen-activated protein kinase kinase kinase 9 Homo sapiens 1.000
CHEMBL2468 Death-associated protein kinase 3 Homo sapiens 1.000
CHEMBL3604 Protein kinase C gamma Rattus norvegicus 1.000
CHEMBL4101 cAMP-dependent protein kinase alpha-catalytic subunit Homo sapiens 1.000
CHEMBL5608 NT-3 growth factor receptor Homo sapiens 1.000
CHEMBL4525 Serine/threonine-protein kinase 17A Homo sapiens 1.000
CHEMBL2250 Tyrosine-protein kinase BLK Homo sapiens 1.000
CHEMBL3980 Serine/threonine-protein kinase 17B Homo sapiens 1.000
CHEMBL5600 Serine/threonine-protein kinase c-TAK1 Homo sapiens 1.000
CHEMBL2801 CaM kinase II delta Homo sapiens 1.000
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 1.000
CHEMBL2553 Ribosomal protein S6 kinase alpha 1 Homo sapiens 1.000
CHEMBL4367 Tyrosine-protein kinase TXK Homo sapiens 1.000
CHEMBL6191 SPS1/STE20-related protein kinase YSK4 Homo sapiens 1.000
CHEMBL3981 Serine/threonine-protein kinase 10 Homo sapiens 1.000
CHEMBL4202 Serine/threonine-protein kinase 2 Homo sapiens 1.000
CHEMBL4237 Ribosomal protein S6 kinase alpha 5 Homo sapiens 1.000
CHEMBL6005 Serine/threonine-protein kinase 33 Homo sapiens 1.000



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2428 Myosin light chain kinase, smooth muscle Homo sapiens 1.000
CHEMBL2708 Mitogen-activated protein kinase kinase kinase 11 Homo sapiens 1.000
CHEMBL2872 Mitogen-activated protein kinase kinase kinase 9 Homo sapiens 1.000
CHEMBL5785 Interferon-induced, double-stranded RNA-activated protein kinase Homo sapiens 1.000
CHEMBL2468 Death-associated protein kinase 3 Homo sapiens 1.000
CHEMBL5784 NUAK family SNF1-like kinase 1 Homo sapiens 1.000
CHEMBL3604 Protein kinase C gamma Rattus norvegicus 1.000
CHEMBL2558 Death-associated protein kinase 1 Homo sapiens 1.000
CHEMBL3384 Protein kinase N1 Homo sapiens 1.000
CHEMBL4708 Serine/threonine-protein kinase MST2 Homo sapiens 1.000
CHEMBL5698 NUAK family SNF1-like kinase 2 Homo sapiens 1.000
CHEMBL3830 Adaptor-associated kinase Homo sapiens 1.000
CHEMBL4924 Ribosomal protein S6 kinase alpha 6 Homo sapiens 1.000
CHEMBL5579 Citron Rho-interacting kinase Homo sapiens 1.000
CHEMBL3125 Ribosomal protein S6 kinase alpha 4 Homo sapiens 1.000
CHEMBL4576 Homeodomain-interacting protein kinase 2 Homo sapiens 1.000
CHEMBL4577 Homeodomain-interacting protein kinase 3 Homo sapiens 1.000
CHEMBL4597 Serine/threonine-protein kinase PCTAIRE-1 Homo sapiens 1.000
CHEMBL5427 Homeodomain-interacting protein kinase 1 Homo sapiens 1.000
CHEMBL5432 Mitogen-activated protein kinase kinase kinase kinase 3 Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
439.5 439.1532 3.47 1 88.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.37 - 4.78 4.78 5 33 0.37

Structural Alerts

There are 1 structural alerts for CHEMBL603469. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UIARLYUEJFELEN-LROUJFHJSA-N
PubChem SID: 144206186 SID: 50113274
Wikipedia Lestaurtinib

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL603469



ACToR 111358-88-4
BindingDB 50308060
Brenda 27072
ChEBI 91471
eMolecules 36500496 10484307
EPA CompTox Dashboard DTXSID5046778
FDA SRS DO989GC5D1
Guide to Pharmacology 5672
IBM Patent System E78707620264CCB213CD48E9B79E5796
LINCS LSM-1231
MolPort MolPort-003-848-372
PubChem 126565
PubChem: Drugs of the Future 26683764
PubChem: Thomson Pharma 14881395
SureChEMBL SCHEMBL1649693
ZINC ZINC000003781738

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