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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

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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL372764

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
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.999
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.999
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.997
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.992
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.985
CHEMBL3691 Autotaxin Homo sapiens 0.976
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.964
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.945
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.931
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.923
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.888
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.870
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.816
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.431
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.371



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 1.000
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 1.000
CHEMBL5982 ADAM9 Homo sapiens 0.990
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.988
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.986
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.984
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.984
CHEMBL3693 Farnesyl pyrophosphate synthase Leishmania donovani 0.962
CHEMBL5831 Farnesyl diphosphate synthase Toxoplasma gondii 0.946
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.944
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.913
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.902
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.887
CHEMBL3474 Phospholipase A2 group IIA Homo sapiens 0.839
CHEMBL3544 Orphan nuclear receptor LRH-1 Homo sapiens 0.716
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.702
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.697
CHEMBL3180 Carboxylesterase 2 Homo sapiens 0.690
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.486
CHEMBL3819 Lysophosphatidic acid receptor Edg-2 Homo sapiens 0.464

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL372764



ACToR 157716-52-4
BindingDB 50431630
ChEBI 67272
eMolecules 32176654
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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