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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL282567
CHEMBL282567
Compound Name PROADIFEN
ChEMBL Synonyms RP 5171 | PROADIFEN HYDROCHLORIDE | PROADIFEN | SK&F 525-A
Max Phase 0
Trade Names
Molecular Formula C23H31NO2

Additional synonyms for CHEMBL282567 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8- ...
Download InChI
Standard InChI Key SNTQPLDRUZOSDP-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL282567

Molecule Features

CHEMBL282567 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PROADIFEN
The Cochrane Collaboration PROADIFEN

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 CHEMBL282567. 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
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.992
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.975
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.975
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.966
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.948
CHEMBL2731 Galanin receptor 3 Homo sapiens 0.940
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.864
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.203



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.997
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.990
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.987
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.967
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.934
CHEMBL4633 Voltage-gated potassium channel subunit Kv1.3 Homo sapiens 0.637
CHEMBL2731 Galanin receptor 3 Homo sapiens 0.562
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.501
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.354

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
353.5 353.2355 5.38 11 29.54 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.2 4.71 2.92 2 26 0.51

Structural Alerts

There are 4 structural alerts for CHEMBL282567. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SNTQPLDRUZOSDP-UHFFFAOYSA-N
PubChem SID: 11111610 SID: 11111611 SID: 50111188 SID: 90340952
Wikipedia Proadifen

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL282567



ACToR 302-33-0
BindingDB 50017716
Brenda 31980 21407 9271 96144 105919 174487 29380 91022 103926 124958 78079 107125
ChEBI 92811
eMolecules 731352
EPA CompTox Dashboard DTXSID2048452
FDA SRS A510CA4CBT
IBM Patent System 170CDFE2C5BC4DE3E5DE706A1F529204
LINCS LSM-3023
Mcule MCULE-1938474920
MolPort MolPort-002-936-656
Nikkaji J5.479H
PubChem 4910
PubChem: Thomson Pharma 14852105
SureChEMBL SCHEMBL122630
ZINC ZINC000001671505

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