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

General Information of Drug (ID: DR5210)
Drug Name
Dihydrotachysterol
Synonyms
Antitanil; Calcamine; Dichystrolum; Dihidrotaquisterol; Dihydral; Dihydrotachysterolum; Diidrotachisterolo; Dygratyl; Hytakerol; Parterol; Tachyrol; Tachystin; Dht Intensol; Diidrotachisterolo [DCIT]; AT 10; DHT2; Anti-tetany substance 10; Dht(sub 2); Dihidrotaquisterol [INN-Spanish]; Dihydrotachysterol(sub 2); Dihydrotachysterolum [INN-Latin]; Dihydrotachysterol [INN:BAN:JAN]; (1S,3E,4S)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol; (1S,3E,4S)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol; (3E)-3-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol; (3S,5E,7E,10S,22E)-9,10-secoergosta-5,7,22-trien-3-ol; (3Z)-3-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohexan-1-ol; 9,10-Secoergosta-5,7,22-trien-3beta-ol
Indication Hypocalcemia [ICD11: 5B5K] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 398.7 Topological Polar Surface Area 20.2
Heavy Atom Count 29 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
5311071
ChEBI ID
CHEBI:4591
CAS Number
67-96-9
TTD Drug ID
D0G8OC
Formula
C28H46O
Canonical SMILES
C[C@H]\\1CC[C@@H](C/C1=C\\C=C\\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C)O
InChI
InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-22,25-27,29H,7-8,11,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,21-,22+,25-,26+,27-,28+/m0/s1
InChIKey
ILYCWAKSDCYMBB-OPCMSESCSA-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
1alpha,25(OH)2DHT DM015492
6438585
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010855 Dihydrotachysterol 1alpha,25(OH)2DHT Unclear - Unclear Unclear [2]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Avapritinib: First Approval

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.