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

General Information of Drug (ID: DR0441)
Drug Name
Desoxycorticosterone pivalate
Synonyms
Deoxycorticosterone pivalate; Deoxycorticosterone trimethylacetate; Deoxycortone pivalate; Deoxycortone trimethylacetate; Desoxycorticosterone pivalate (USP); Desoxycorticosterone pivalate [USP]; Desoxycorticosterone trimethylacetate; Desoxycortone pivalate; NSC 95278; UNII-16665T4A2X; 11-Deoxy Corticosterone Pivalate; 11-Deoxycorticosterone pivalate; 21-(2,2-Dimethyl-1-oxopropoxy)pregn-4-ene-3,20-dione; 3,20-dioxopregn-4-en-21-yl 2,2-dimethylpropanoate; 808-48-0; CHEBI:50782; DESOXYCORTICOSTERONE PIVALATE; DOCP; DTMA
Indication Adrenocortical deficiency [ICD11: 5A74] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 414.6 Topological Polar Surface Area 60.4
Heavy Atom Count 30 Rotatable Bond Count 5
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
11876263
PubChem SID
12209335 ; 17397792 ; 23913272 ; 25652970 ; 29216193 ; 32901144 ; 56353007 ; 57377362 ; 78892626 ; 90472274 ; 103770575 ; 131326978 ; 134223711 ; 134976993 ; 144205152 ; 162179016 ; 162260006 ; 166210033 ; 175266301 ; 180100849 ; 226491668 ; 241163658 ; 252347931
ChEBI ID
ChEBI:50782
CAS Number
808-48-0
TTD Drug ID
D0W5LS
Formula
C26H38O4
Canonical SMILES
CC12CCC3C(C1CCC2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CCC34C
InChI
1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1
InChIKey
VVOIQBFMTVCINR-WWMZEODYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Desoxycorticosterone acetate M2 PDM007160
223578
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Desoxycorticosterone pivalate M2 PDM007161
6417
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
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 Desoxycorticosterone Pivalate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Progress in Brain Research. Chapter 11 - Steroidogenic Enzymes in the Brain: Morphological Aspects. 2010, 181:193-207.

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