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

General Information of Drug (ID: DR2224)
Drug Name
Dihydrolanosterol
Synonyms
Dihydrolanosterin; Dihydrolanosterol; Lanost-8-en-3-ol; Lanost-8-en-3-ol #; Lanost-8-en-3-ol, (3.beta.)-; Lanost-8-en-3.beta.-ol; Lanost-8-en-3beta-ol; Lanostenol; Lanosterol, dihydro-; MBZYKEVPFYHDOH-BQNIITSRSA-N; SCHEMBL288306; (3beta)-Lanost-8-en-3-ol; 24,25-Dihydrolanosterol; 24-dihydrolanosterol; 3beta-Hydroxylanost-8-ene; 5alpha-Lanost-8-en-3 beta-ol; 5alpha-Lanost-8-en-3beta-ol; 79-62-9; 9H273A8B2X; CHEBI:28113; CHEMBL4213010; DTXSID101000181; UNII-9H273A8B2X
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 428.7 Topological Polar Surface Area 20.2
Heavy Atom Count 31 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
440560
ChEBI ID
CHEBI:28113
CAS Number
79-62-9
Formula
C30H52O
Canonical SMILES
CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C
InChI
1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
InChIKey
MBZYKEVPFYHDOH-BQNIITSRSA-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
32-hydroxy-24,25-dihydrolanosterol (lanost-8-ene-3 beta,32-diol) DM003823 N. A. Unclear 1 [5]
4,4-dimethyl-5 alpha-cholesta-8,14-dien-3 beta-ol DM003824
634344
Unclear 1 [5] , [6]
4,4-dimethyl-5 alpha-cholesta-8,14-dien-3 beta-ol DM003824
634344
Unclear 2 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004172 Dihydrolanosterol 32-hydroxy-24,25-dihydrolanosterol (lanost-8-ene-3 beta,32-diol) Unclear cyp51B1 [5]
MR004174 Dihydrolanosterol 4,4-dimethyl-5 alpha-cholesta-8,14-dien-3 beta-ol Unclear cyp51B1 [5], [6]
MR004173 32-hydroxy-24,25-dihydrolanosterol (lanost-8-ene-3 beta,32-diol) 4,4-dimethyl-5 alpha-cholesta-8,14-dien-3 beta-ol Unclear Unclear [6]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 51B1 (cyp51) DME1235 Mycobacterium tuberculosis
B2HH81_MYCMM
1.14.14.154
[2]
Cytochrome P450 monooxygenase 51A (cyp51A) DME1664 Aspergillus fumigatus
CP51A_ASPFU
1.14.14.154
[3] , [4]
References
1 The potential of isoprenoids in adjuvant cancer therapy to reduce adverse effects of statins. Front Pharmacol. 2019 Jan 4;9:1515.
2 Function, essentiality, and expression of cytochrome P450 enzymes and their cognate redox partners in Mycobacterium tuberculosis: are they drug targets? Appl Microbiol Biotechnol. 2019 May;103(9):3597-3614.
3 The fungal CYP51s: their functions, structures, related drug resistance, and inhibitors. Front Microbiol. 2019 Apr 24;10:691.
4 Lung colonization by Aspergillus fumigatus is controlled by ZNF77. Nat Commun. 2018 Sep 20;9(1):3835.
5 Purification and characterization of rat sterol 14-demethylase P450 (CYP51) expressed in Escherichia coli
6 Metabolism of 32-hydroxy-24,25-dihydrolanosterol by purified cytochrome P-45014DM from yeast. Evidence for contribution of the cytochrome to whole process of lanosterol 14 alpha-demethylation

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