Details of the Drug

General Information of Drug (ID: DMWIO46)

Drug Name
Camphor
Synonyms
camphor; 76-22-2; 2-Camphanone; 2-Bornanone; DL-Camphor; (+)-Camphor; l-(-)-Camphor; (+/-)-Camphor; Root bark oil; 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one; Bornan-2-one; Alphanon; Kampfer; Gum camphor; Spirit of camphor; Formosa camphor; Laurel camphor; 2-Camphonone; Matricaria camphor; Camphor, synthetic; Bornane, 2-oxo-; 1,7,7-Trimethylnorcamphor; Root bark spirit; 2-Keto-1,7,7-trimethylnorcamphane; DL-Bornan-2-one; D-(+)-Camphor; Norcamphor, 1,7,7-trimethyl-; 21368-68-3; Camphor, (1R,4R)-(+)-; Bicyclo[2.2.1]heptan-2-one, 1,7,7-tri
Indication
Disease Entry ICD 11 Status REF
Acute or chronic pain MG30-MG31 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 152.23
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H16O
IUPAC Name
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Canonical SMILES
CC1(C2CCC1(C(=O)C2)C)C
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
InChIKey
DSSYKIVIOFKYAU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2537
ChEBI ID
CHEMBL15768
CAS Number
76-22-2
UNII
N20HL7Q941
DrugBank ID
DB01744
TTD ID
D0H1QY
INTEDE ID
DR2268
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2A6 (CYP2A6) DEJVYAZ CP2A6_HUMAN Substrate [2]
Cytochrome P450 101D2 (cyp101) DE7HL3C Q2G8A2_NOVAD Substrate [3], [4]
Cytochrome P450 101D1 (cyp101) DE9JBQK Q2GB12_NOVAD Substrate [3], [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Transient receptor potential cation channel subfamily V member 3 (TRPV3) OTC57YC6 TRPV3_HUMAN Gene/Protein Processing [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2422).
2 In vitro metabolism of (-)-camphor using human liver microsomes and CYP2A6. Biol Pharm Bull. 2007 Feb;30(2):230-3.
3 Patients with primary biliary cirrhosis react against a ubiquitous xenobiotic-metabolizing bacterium. Hepatology. 2003 Nov;38(5):1250-7.
4 A cytochrome P450 class I electron transfer system from Novosphingobium aromaticivorans. Appl Microbiol Biotechnol. 2010 Mar;86(1):163-75.
5 Isopentenyl pyrophosphate is a novel antinociceptive substance that inhibits TRPV3 and TRPA1 ion channels. Pain. 2011 May;152(5):1156-1164. doi: 10.1016/j.pain.2011.01.044. Epub 2011 Feb 24.