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

General Information of Drug (ID: DR0437)
Drug Name
Desmosterol
Synonyms
ANP93865R8; Cholesta-5,24-dien-3-ol; Cholesta-5,24-dien-3b-ol; Cholesta-5,24-dien-3beta-ol; DESMOSTEROL; SCHEMBL156561; cholest-5,24-dien-3beta-ol; desmesterol; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; 24,25-Dehydrocholesterol; 24-Dehydrocholesterol; 24-dehydro Cholesterol; 313-04-2; 3beta-cholesta-5,24-dien-3-ol; 5,24-Cholestadien-3; A-ol; AC1L97ME; CHEBI:17737; EINECS 206-236-2; NSC 226126; UNII-ANP93865R8
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 384.6 Topological Polar Surface Area 20.2
Heavy Atom Count 28 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
439577
PubChem SID
4928 ; 4266377 ; 8144027 ; 10298383 ; 15978228 ; 24894033 ; 36883775 ; 52670367 ; 57394893 ; 57403092 ; 99300578 ; 103637422 ; 104620858 ; 126524635 ; 127466210 ; 135651470 ; 137237337 ; 138128789 ; 138613691 ; 162221242 ; 164815728 ; 179293074 ; 184544358 ; 198962901 ; 223703363 ; 224772242 ; 226520608 ; 252363923 ; 252551927 ; 252669467
ChEBI ID
CHEBI:17737
CAS Number
313-04-2
TTD Drug ID
D01RNA
Formula
C27H44O
Canonical SMILES
CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI
1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
AVSXSVCZWQODGV-DPAQBDIFSA-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
CHOL DM001689
5997
Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006263 Desmosterol Cholesterol Unclear Unclear [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Delta(24)-sterol reductase (DHCR24) DME0413 Homo sapiens
DHC24_HUMAN
1.3.1.72
[2]
Sterol Delta(7)-reductase (DHCR7) DME0591 Homo sapiens
DHCR7_HUMAN
1.3.1.21
[3]
References
1 The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY. Nucleic Acids Res. 2020 Jan 8;48(D1):D1006-D1021. (Ligand id: 2748).
2 Alzheimer's disease: brain desmosterol levels. J Alzheimers Dis. 2013;33(3):881-8.
3 Inhibitors of 7-dehydrocholesterol reductase: screening of a collection of pharmacologically active compounds in Neuro2a cells. Chem Res Toxicol. 2016 May 16;29(5):892-900.
4 Identification and characterization of prescription drugs that change levels of 7-dehydrocholesterol and desmosterol

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