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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

Sources

  • USP Dictionary of USAN and International Drug Names

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
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.980
CHEMBL3419 Carboxypeptidase B2 isoform A Homo sapiens 0.976
CHEMBL237 Kappa opioid receptor Homo sapiens 0.969
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.914
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.906
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.630
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.324
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.306
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.294
CHEMBL3041 Mu opioid receptor Bos taurus 0.276
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.249
CHEMBL4402 Retinoid X receptor gamma Mus musculus 0.207



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL237 Kappa opioid receptor Homo sapiens 0.989
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.972
CHEMBL3419 Carboxypeptidase B2 isoform A Homo sapiens 0.956
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.890
CHEMBL3985 Voltage-dependent calcium channel alpha2delta subunit Sus scrofa 0.879
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.858
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.832
CHEMBL236 Delta opioid receptor Homo sapiens 0.831
CHEMBL4696 Glycogen phosphorylase, muscle form Oryctolagus cuniculus 0.762
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.717
CHEMBL233 Mu opioid receptor Homo sapiens 0.714
CHEMBL3614 Kappa opioid receptor Rattus norvegicus 0.685
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.561
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.322
CHEMBL4370 UDP-glucuronosyltransferase 2B7 Homo sapiens 0.217
CHEMBL3041 Mu opioid receptor Bos taurus 0.216
CHEMBL4047 Retinoid X receptor beta Mus musculus 0.206

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 5394-83-2 124-83-4 19889-42-0
eMolecules 1857177
Human Metabolome Database HMDB0034491
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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