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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1096643
CHEMBL1096643
Compound Name PHENGLUTARIMIDE
ChEMBL Synonyms PHENGLUTARIMIDE
Max Phase 0
Trade Names
Molecular Formula C17H24N2O2

Additional synonyms for CHEMBL1096643 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCC1(CCC(=O)NC1=O)c2ccccc2
Standard InChI InChI=1S/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11- ...
Download InChI
Standard InChI Key BFMBKRQFMIILCH-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1096643

Molecule Features

CHEMBL1096643 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
PARKINSON DISEASED010300EFO:0002508PARKINSON'S DISEASE4ATC

Clinical Data

ClinicalTrials.gov PHENGLUTARIMIDE
The Cochrane Collaboration PHENGLUTARIMIDE

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 CHEMBL1096643. 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
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.908
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.876
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.806
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.754
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.752
CHEMBL233 Mu opioid receptor Homo sapiens 0.683
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.543
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.513
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.498
CHEMBL4699 Isoprenylcysteine carboxyl methyltransferase Homo sapiens 0.451
CHEMBL240 HERG Homo sapiens 0.362
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.348
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.242



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 0.958
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.919
CHEMBL237 Kappa opioid receptor Homo sapiens 0.755
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.725
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.560
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.509
CHEMBL240 HERG Homo sapiens 0.479
CHEMBL4699 Isoprenylcysteine carboxyl methyltransferase Homo sapiens 0.405
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.360
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.341
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.338
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.318
CHEMBL287 Sigma opioid receptor Homo sapiens 0.265
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.263
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.262

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
288.4 288.1838 2.18 6 49.41 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.24 10.18 1.89 -.7 1 21 0.82

Structural Alerts

There are 3 structural alerts for CHEMBL1096643. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N04 - ANTI-PARKINSON DRUGS
N04A - ANTICHOLINERGIC AGENTS
N04AA - Tertiary amines
N04AA09 - phenglutarimide

ChemSpider ChemSpider:BFMBKRQFMIILCH-UHFFFAOYSA-N
Wikipedia Phenglutarimide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1096643



ACToR 1156-05-4
ChEBI 135195
DrugCentral 2127
EPA CompTox Dashboard DTXSID0023450
IBM Patent System 3539AFB78FBD79D9CF90BAB9238D3731
Nikkaji J7.288E
PubChem 102669
PubChem: Thomson Pharma 15443103
SureChEMBL SCHEMBL250700

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