Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2268)
Drug Name
BRN-1907611
Synonyms
Alphanon; Bornan-2-one; Bornane, 2-oxo-; Camphor, (1R,4R)-(+)-; Camphor, synthetic; D-(+)-Camphor; DL-Bornan-2-one; DL-Camphor; Formosa camphor; Gum camphor; Kampfer; Laurel camphor; Matricaria camphor; Norcamphor, 1,7,7-trimethyl-; Root bark oil; Root bark spirit; Spirit of camphor; camphor; l-(-)-Camphor; (+)-Camphor; (+/-)-Camphor; 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one; 1,7,7-Trimethylnorcamphor; 2-Bornanone; 2-Camphanone; 2-Camphonone; 2-Keto-1,7,7-trimethylnorcamphane; 21368-68-3; 76-22-2; Bicyclo[2.2.1]heptan-2-one, 1,7,7-tri
Indication Inflammatory bowel disease [ICD11: DD72] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 152.23 Topological Polar Surface Area 17.1
Heavy Atom Count 11 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
2537
PubChem SID
4067 ; 3132321 ; 5007458 ; 7847166 ; 8149228 ; 8151682 ; 10501808 ; 10513538 ; 10523484 ; 10523485 ; 10535101 ; 11335899 ; 11361138 ; 11462110 ; 14709543 ; 15146886 ; 17389023 ; 17425401 ; 17486483 ; 25621450 ; 26752736 ; 29221699 ; 30559379 ; 48185229 ; 48423076 ; 48425105 ; 49816688 ; 49854350 ; 49855812 ; 49898651 ; 57309739 ; 57321362 ; 74382197 ; 76206502 ; 85084503 ; 85084504 ; 85084505 ; 85280976 ; 87244069 ; 87565221 ; 87565222 ; 87566270 ; 90451316 ; 92721405 ; 99301812 ; 103179042 ; 104152820 ; 104300878 ; 104667151 ; 117397419
ChEBI ID
ChEBI:36773
CAS Number
76-22-2
TTD Drug ID
D0H1QY
Formula
C10H16O
Canonical SMILES
CC1(C2CCC1(C(=O)C2)C)C
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
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
5-Exo-hydroxycamphor DM002515
447414
Oxidation - Hydroxylation 1 [2] , [4]
8-hydroxycamphor DM002516
130813327
Oxidation - Hydroxylation 1 [2] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000454 BRN-1907611 5-Exo-hydroxycamphor Oxidation - Hydroxylation CYP2A6 ... [2], [4]
MR000455 BRN-1907611 8-hydroxycamphor Oxidation - Hydroxylation CYP2D6 [2], [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 101D1 (cyp101) DME1524 Novosphingobium aromaticivorans
Q2GB12_NOVAD
1.14.15.1
[2]
Cytochrome P450 101D2 (cyp101) DME1525 Novosphingobium aromaticivorans
Q2G8A2_NOVAD
1.14.15.1
[2]
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[3]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[4]
References
1 ClinicalTrials.gov (NCT01119534) Comparative Efficacy of the Suppository Versus Guaiacol Suppository Versus Guaifenesin Syrup in Pediatric Patients With Cough Due the Infectious Origin
2 A cytochrome P450 class I electron transfer system from Novosphingobium aromaticivorans. Appl Microbiol Biotechnol. 2010 Mar;86(1):163-75.
3 In vitro metabolism of (-)-camphor using human liver microsomes and CYP2A6. Biol Pharm Bull. 2007 Feb;30(2):230-3.
4 DrugBank(Pharmacology-Metabolism)BRN-1907611

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