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

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 0.984
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.971
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.968
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.966
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.964
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.894
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.780
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.686
CHEMBL233 Mu opioid receptor Homo sapiens 0.653
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.650
CHEMBL4699 Isoprenylcysteine carboxyl methyltransferase Homo sapiens 0.645
CHEMBL240 HERG Homo sapiens 0.544
CHEMBL287 Sigma opioid receptor Homo sapiens 0.260
CHEMBL237 Kappa opioid receptor Homo sapiens 0.234



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.987
CHEMBL233 Mu opioid receptor Homo sapiens 0.974
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.941
CHEMBL237 Kappa opioid receptor Homo sapiens 0.937
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.894
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.817
CHEMBL4581 Kinesin-like protein 1 Homo sapiens 0.751
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.736
CHEMBL4699 Isoprenylcysteine carboxyl methyltransferase Homo sapiens 0.592
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.585
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.561
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.514
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.442
CHEMBL287 Sigma opioid receptor Homo sapiens 0.423
CHEMBL240 HERG Homo sapiens 0.420
CHEMBL236 Delta opioid receptor Homo sapiens 0.286
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.235

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

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
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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