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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL504760
CHEMBL504760
Compound Name CAMPHOR
ChEMBL Synonyms TRANS-PI-OXOCAMPHOR | CAMPHORA | CAMPHOR | D-CAMPHOR | DL-CAMPHOR
Max Phase 4 (Approved)
Trade Names
Molecular Formula C10H16O

Additional synonyms for CHEMBL504760 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
Standard InChI InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H ...
Download InChI
Standard InChI Key DSSYKIVIOFKYAU-XCBNKYQSSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Manually Added Drugs
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL504760

Molecule Features

CHEMBL504760 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
CARDIOVASCULAR DISEASESD002318EFO:0000319CARDIOVASCULAR DISEASE4ATC

Clinical Data

ClinicalTrials.gov CAMPHOR
The Cochrane Collaboration CAMPHOR

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 CHEMBL504760. 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 0.999
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.986
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.982
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.898
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.859
CHEMBL4441 C-X-C chemokine receptor type 3 Homo sapiens 0.809
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.782
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.589
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.542
CHEMBL5200 C-X-C chemokine receptor type 3 Mus musculus 0.312
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.302
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.241



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3996 Oxytocin receptor Rattus norvegicus 1.000
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.991
CHEMBL3305 Testis-specific androgen-binding protein Homo sapiens 0.977
CHEMBL4441 C-X-C chemokine receptor type 3 Homo sapiens 0.945
CHEMBL5200 C-X-C chemokine receptor type 3 Mus musculus 0.929
CHEMBL3766 Vasopressin V2 receptor Rattus norvegicus 0.855
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.818
CHEMBL2391 11-beta-hydroxysteroid dehydrogenase 1 Rattus norvegicus 0.815
CHEMBL3969 Carbonic anhydrase VB Homo sapiens 0.774
CHEMBL4789 Carbonic anhydrase VA Homo sapiens 0.715
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.644
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.371
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.344
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.235

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
152.2 152.1201 2.08 0 17.07 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.09 2.09 0 11 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL504760. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01E - OTHER CARDIAC PREPARATIONS
C01EB - Other cardiac preparations
C01EB02 - camphora

ChemSpider ChemSpider:DSSYKIVIOFKYAU-XCBNKYQSSA-N
PubChem SID: 144204546 SID: 144209385 SID: 144213369 SID: 170465497 SID: 17389023 SID: 17389071 SID: 26752736 SID: 29215100 SID: 49816688 SID: 50105387

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL504760



BindingDB 36263
Brenda 2387 103743 48195 90212
ChEBI 15396
DrugBank DB01744
eMolecules 482330
EPA CompTox Dashboard DTXSID4024721
FDA SRS N20HL7Q941
Human Metabolome Database HMDB0059838
IBM Patent System A1FE2D381517D6BFF3E8512A0CD754C3
Mcule MCULE-8475137009
Metabolights MTBLC15396
MolPort MolPort-001-793-333
Nikkaji J43.294F
PDBe CAM
PubChem 159055
PubChem: Thomson Pharma 15170918
Rhea 15396
SureChEMBL SCHEMBL16069
ZINC ZINC000000967520

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