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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

Alternate Forms of Compound in ChEMBL


CHEMBL1205405

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

ClinicalTrials.gov CAMPHORIC ACID
The Cochrane Collaboration CAMPHORIC ACID

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
CHEMBL3419 Carboxypeptidase B2 isoform A Homo sapiens 0.986
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.974
CHEMBL237 Kappa opioid receptor Homo sapiens 0.971
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.934
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.810
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.637
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.535
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.356
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.336
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.323
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.278
CHEMBL3041 Mu opioid receptor Bos taurus 0.234
CHEMBL3508 Cholecystokinin B receptor Rattus norvegicus 0.212



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL237 Kappa opioid receptor Homo sapiens 0.989
CHEMBL3419 Carboxypeptidase B2 isoform A Homo sapiens 0.975
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.966
CHEMBL3985 Voltage-dependent calcium channel alpha2delta subunit Sus scrofa 0.954
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.904
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.890
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.849
CHEMBL236 Delta opioid receptor Homo sapiens 0.797
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.783
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.721
CHEMBL233 Mu opioid receptor Homo sapiens 0.690
CHEMBL2065 Beta-lactamase TEM Escherichia coli 0.655
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.590
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.542
CHEMBL4114 Beta-lactamase Staphylococcus aureus 0.458
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.350
CHEMBL2725 Beta-lactamase Enterobacter cloacae 0.339
CHEMBL4370 UDP-glucuronosyltransferase 2B7 Homo sapiens 0.239
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.215

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

Structural Alerts

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

Compound Cross References

ChemSpider ChemSpider:LSPHULWDVZXLIL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1205405



ACToR 124-83-4 5394-83-2 19889-42-0
eMolecules 1857177
Human Metabolome Database HMDB34491
IBM Patent System EE4AB24C62A35287DD4A273DFC229291
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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