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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL372764
CHEMBL372764
Compound Name PERIFOSINE
ChEMBL Synonyms KRX-0401 | PERIFOSINE
Max Phase 3
Trade Names
Molecular Formula C25H52NO4P

Additional synonyms for CHEMBL372764 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1
Standard InChI InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-1 ...
Download InChI
Standard InChI Key SZFPYBIJACMNJV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL372764

Molecule Features

CHEMBL372764 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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
NEOPLASMSD009369EFO:0000616NEOPLASM1ClinicalTrials
WALDENSTROM MACROGLOBULINEMIAD008258EFO:0002616MACROGLOBULINEMIA2ClinicalTrials
SARCOMAD012509EFO:0000691SARCOMA2ClinicalTrials
CARCINOMA, RENAL CELLD002292EFO:0000681RENAL CELL CARCINOMA2ClinicalTrials
LEUKEMIAD007938EFO:0000565LEUKEMIA2ClinicalTrials
NEOPLASMSD009369EFO:0000311CANCER1ClinicalTrials
CARCINOMA, NON-SMALL-CELL LUNGD002289EFO:0003060NON-SMALL CELL LUNG CARCINOMA1ClinicalTrials
CARCINOMA, RENAL CELLD002292EFO:0002890RENAL CARCINOMA2ClinicalTrials
LEUKEMIA, LYMPHOCYTIC, CHRONIC, B-CELLD015451EFO:0000095CHRONIC LYMPHOCYTIC LEUKEMIA2ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0000673PROSTATE ADENOCARCINOMA2ClinicalTrials
LYMPHOMAD008223EFO:0000574LYMPHOMA2ClinicalTrials

Clinical Data

ClinicalTrials.gov PERIFOSINE
The Cochrane Collaboration PERIFOSINE

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 CHEMBL372764. 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
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 1.000
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.998
CHEMBL3691 Autotaxin Homo sapiens 0.997
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.996
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.993
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.985
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.965
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.963
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.957
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.850
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.699
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 0.642
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.594
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.555
CHEMBL3474 Phospholipase A2 group IIA Homo sapiens 0.410
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.401
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.264



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.998
CHEMBL5982 ADAM9 Homo sapiens 0.993
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.990
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.984
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.982
CHEMBL3693 Farnesyl pyrophosphate synthase Leishmania donovani 0.975
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.970
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.966
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.959
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.932
CHEMBL3474 Phospholipase A2 group IIA Homo sapiens 0.929
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.900
CHEMBL3691 Autotaxin Homo sapiens 0.895
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 0.647
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.576
CHEMBL1828 DNA polymerase alpha subunit Homo sapiens 0.567
CHEMBL3321 Monoglyceride lipase Rattus norvegicus 0.479

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
461.7 461.3634 4.61 20 68.39 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.4 - 5.07 5.67 0 31 0.15

Structural Alerts

There are 14 structural alerts for CHEMBL372764. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SZFPYBIJACMNJV-UHFFFAOYSA-N
PubChem SID: 144206916 SID: 225144339 SID: 499931
Wikipedia Perifosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL372764



ACToR 157716-52-4
BindingDB 50431630
ChEBI 67272
eMolecules 32176654
EPA CompTox Dashboard DTXSID3048946
FDA SRS 2GWV496552
Guide to Pharmacology 7424
MolPort MolPort-005-943-222
PubChem 148177
PubChem: Drugs of the Future 12014848
PubChem: Thomson Pharma 14760465
SureChEMBL SCHEMBL93872

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