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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

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

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL1096643

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
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.989
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.982
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.974
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.940
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.915
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.877
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.701
CHEMBL4699 Isoprenylcysteine carboxyl methyltransferase Homo sapiens 0.694
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.613
CHEMBL233 Mu opioid receptor Homo sapiens 0.457
CHEMBL287 Sigma opioid receptor Homo sapiens 0.447
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.288
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.255
CHEMBL237 Kappa opioid receptor Homo sapiens 0.216



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 0.998
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.993
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.970
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.965
CHEMBL233 Mu opioid receptor Homo sapiens 0.950
CHEMBL237 Kappa opioid receptor Homo sapiens 0.934
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.915
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.768
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.667
CHEMBL4699 Isoprenylcysteine carboxyl methyltransferase Homo sapiens 0.653
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.630
CHEMBL287 Sigma opioid receptor Homo sapiens 0.584
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.385
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.379
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.362
CHEMBL240 HERG Homo sapiens 0.223

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
288.4 288.1838 2.18 0 6 No Yes BASE


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

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



IBM Patent System 3539AFB78FBD79D9CF90BAB9238D3731
Patent WO2000048636A1
SureChem SureCN250700
PubChem: Thomson Pharma 15443103
PubChem 102669

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