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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1205405
CHEMBL1205405
Compound Name CAMPHORIC ACID
ChEMBL Synonyms Camphoric Acid
Max Phase 0
Trade Names
Molecular Formula C10H16O4

Additional synonyms for CHEMBL1205405 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)C(CCC1(C)C(=O)O)C(=O)O
Standard InChI InChI=1S/C10H16O4/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h6H,4- ...
Download InChI
Standard InChI Key LSPHULWDVZXLIL-UHFFFAOYSA-N

Molecule Features

CHEMBL1205405 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 1 structural alerts for CHEMBL1205405. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1205405

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 CHEMBL1205405. 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
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.982
CHEMBL237 Kappa opioid receptor Homo sapiens 0.974
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.858
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.846
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.539
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.339
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.326
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.294
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.280
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.280
CHEMBL3041 Mu opioid receptor Bos taurus 0.237
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 0.228
CHEMBL233 Mu opioid receptor Homo sapiens 0.218



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL237 Kappa opioid receptor Homo sapiens 0.991
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.979
CHEMBL3985 Voltage-dependent calcium channel alpha2delta subunit Sus scrofa 0.960
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.887
CHEMBL236 Delta opioid receptor Homo sapiens 0.833
CHEMBL233 Mu opioid receptor Homo sapiens 0.831
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.781
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.729
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.690
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.663
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.629
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.627
CHEMBL4114 Beta-lactamase Staphylococcus aureus 0.497
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.387
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.375
CHEMBL3807 T-cell protein-tyrosine phosphatase Homo sapiens 0.245
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.242
CHEMBL3041 Mu opioid receptor Bos taurus 0.224

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
200.2 200.1049 1.53 2 74.59 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.57 - 1.34 -3.22 0 14 0.71

Compound Cross References

ChemSpider ChemSpider:LSPHULWDVZXLIL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1205405



ACToR 5394-83-2 124-83-4 19889-42-0
eMolecules 1857177
Human Metabolome Database HMDB34491
IBM Patent System EE4AB24C62A35287DD4A273DFC229291
IBM Patents WO1996028464A1 EP2262500A1 EP0640605B1 US7705143 US20080249122 US20070208014 US20080070919 EP0870758A1 US20100216925 US20030171612 US20080300316 US20100074862 EP1942153B1 US4692442 US7807837 EP1673348B1 WO2010069684A1 WO2010068717A2 WO2009018280A2 WO2009032177A1 US20100168115 WO2009076631A1 EP1858867B1 EP1976500A1 WO1999016458A1 US5834064 US3950362 US20100168086 US20100015220 US20050261309 US20060106215 EP2170062A1 WO2010124108A1 US4664852 US20090005431 WO2006074789A1 US7009009 EP0486211A1 WO2010054286A2 WO2008070277A2 WO2007095613A2 EP1988127A1 WO2009009778A1 US20060199933 EP1550701A1 US20100144977 US20100087364 EP1991223B1 EP1660491B1 EP1973539A1 WO2008141077A1 EP0875498A3 US20070287734 WO2009089234A2 EP2089011A1 US7250427 WO2010042714A1 US20090209634 EP0872534B1 EP1812406A2 US4965258 WO2008144602A1 WO2008127640A2 WO2007095423A1 US20080312247 EP1796664A1 EP1816168A1 EP1930375A1 WO2008134525A1 US20020111368 US20070207982 US20100130543 US6939828 WO1997018190A1 EP0302757A2 US20040044047 US20100048589 US20100113606 US5378393 EP0815124B1 WO2008157240A1 EP0441160B1 US20100279986 US20100144823 WO1998058902A1 US6472407 US20030130202 EP1506961A2 US20100292276 WO2001098302A1 US7060851 EP0421823A3 US4154851 EP0729498A1 EP2224919A1 EP1940411A2 EP1951699A2 WO2008016340A1 US7291739 US20090264645
Mcule MCULE-4214835076
MolPort MolPort-000-279-452
Nikkaji J139.252B
NMRShiftDB 10008741
PubChem 21491
PubChem: Thomson Pharma 16082181
SureChEMBL SCHEMBL12308

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