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

General Information of Drug (ID: DR0798)
Drug Name
Halcinonide
Synonyms
Halciderm; Halcimat; Halcinonid; Halcinonida; Halcinonida [INN-Spanish]; Halcinonidum; Halcinonidum [INN-Latin]; Halcort; SI86V6QNEG; SQ 18566; Adcortin; Alcinonide; Ascochrom; Betacorton; HALOG-E; SQ-18,566; halcinonide; (11?,16?)-21-Chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregn-4-ene-3,20-dione; 3093-35-4; BRN 1358242; C24H32ClFO5; DSSTox_CID_25375; DSSTox_GSID_45375; DSSTox_RID_80836; EINECS 221-439-6; Halog; NCGC00016621-01; UNII-SI86V6QNEG; Volog
Indication Atopic dermatitis [ICD11: EA80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 455 Topological Polar Surface Area 72.8
Heavy Atom Count 31 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
443943
ChEBI ID
CHEBI:31663
CAS Number
3093-35-4
TTD Drug ID
D06IIB
Formula
C24H32ClFO5
Canonical SMILES
CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C
InChI
1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
MUQNGPZZQDCDFT-JNQJZLCISA-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
Unclear DM009999 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005784 Halcinonide Unclear Unclear CYP3A4 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Halcinonide was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 NCIthesaurus: Halcinonide
3 NCI Thesaurus (NCIt): Halcinonide

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