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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:36773
CAS Number: 76-22-2
UNII: N20HL7Q941
DrugBank ID: DB01744
TTD ID: D0H1QY
INTEDE ID: DR2268

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)

MIA Detail

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.