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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 SK&F-525A | Proadifen | RP-5171 | Proadifen HCl
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

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

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

Alternate Forms of Compound in ChEMBL


CHEMBL282567

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
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.994
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.991
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.969
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.950
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.934
CHEMBL2731 Galanin receptor 3 Homo sapiens 0.934
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.920



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 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
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.999
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.991
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.984
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.974
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.973
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.890
CHEMBL2731 Galanin receptor 3 Homo sapiens 0.601
CHEMBL4633 Voltage-gated potassium channel subunit Kv1.3 Homo sapiens 0.242

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

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
BindinDB 50017716
eMolecules 731352
FDA SRS A510CA4CBT
IBM Patent System 170CDFE2C5BC4DE3E5DE706A1F529204
IBM Patents US6331289 US20100215673 US7709049 US20030050226 US20100076006 US20040176455 US20010056116 US20070232622 EP1819373A2 US6534506 WO2006014484A2 US20080028992 EP1699446B1 US20070259814 EP0808160A1 US6258836 US20050220841 US20070065481 WO2004069890A2 WO2001091553A1 US5783606 US20070101933 US20050215533 US7807750 WO2005053835A2 EP1926504B1 US20060018933 US6916661 US20070122474 EP0941079A1 WO2007040557A1 US6692911 US20080188946 WO2005009510A2 WO2002013871A2 US7638344 US20070093462 EP1931760A2 WO2001077114A1 US6268222 EP2011489A2 US20050220842 WO1996024346A1 WO2006074391A2 WO2007044693A2 WO2002060868A2 EP1926509A1 EP1158973A2 US20050004229 US4094908 US20080057106 US20080003288 US20060216324 US20020022633 US20020146394 US20050084542 US4039589 WO2009009591A2 US20050119273 WO2006074406A2 WO2001051494A1 US20070128343 US7473678 EP1614415A1 US6492427 WO1996002239A2 US20090285786 EP1621189A2 US20020041899 US20060018948 EP2068828A2 WO2005113034A1 US6121299 US7585461 EP1158973B1 US7141431 US20030134860 WO2001060368A1 WO2010033482A1 WO1999037814A1 EP0963200B1 WO1998050022A1 EP0963200A2 WO2009155689A1 WO2005122800A1 US7550443 US7544673 US20020099007 EP0138714A2 US20050002865 US7615548 US20070065483 US20060147491 EP1309360A2 WO2001076694A1 US20060084602 WO1999003817A2 US20050249805 US20070128245 US5939485
LINCS LSM-3023
Mcule MCULE-1938474920
MolPort MolPort-002-936-656
Nikkaji J5.479H
PubChem 4910
PubChem: Thomson Pharma 14852105
SureChEMBL SCHEMBL122630

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