Details of the Drug

General Information of Drug (ID: DMSA4B3)

Drug Name
Desoxycorticosterone Pivalate
Synonyms
DOCP; DTMA; Cortexone M; Deoxycorticosterone pivalate; Deoxycorticosterone trimethylacetate; Deoxycortolone Pivalate; Deoxycortone pivalate; Deoxycortone trimethylacetate; Desoxycorticosterone trimethylacetate; Desoxycortone pivalate; Percorten M; Percorten Pivalate; Desoxycorticosterone pivalate (USP); Neodin-depositum; Percorten (TN); Corticosterone, deoxy-, pivalate (6CI,7CI); [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2-dimethylpropanoate; 11-Deoxycorticosterone pivalate; 11-Deoxycorticosterone, pivalate; 11-Deoxycorticosterone, pivalate (8CI); 21-(2,2-Dimethyl-1-oxopropoxy)pregn-4-ene-3,20-dione; 3,20-dioxopregn-4-en-21-yl 2,2-dimethylpropanoate
Indication
Disease Entry ICD 11 Status REF
Addison disease 5A74.0 Approved [1]
Therapeutic Class
Antiaddison Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 414.6
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C26H38O4
IUPAC Name
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
Canonical SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CC[C@]34C
InChI
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
Cross-matching ID
PubChem CID
11876263
ChEBI ID
CHEBI:50782
CAS Number
808-48-0
DrugBank ID
DB01134
TTD ID
D0W5LS
INTEDE ID
DR0441
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mineralocorticoid receptor (MR) TT26PHO MCR_HUMAN Binder [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Addison disease
ICD Disease Classification 5A74.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Mineralocorticoid receptor (MR) DTT NR3C2 7.31E-01 -5.31E-04 -1.53E-03
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 2.76E-01 -4.64E-01 -9.16E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drug information of Desoxycorticosterone Pivalate, 2008. eduDrugs.
2 Characterization of rat brain aldosterone receptors reveals high affinity for corticosterone. Endocrinology. 1983 Dec;113(6):2043-51.
3 Progress in Brain Research. Chapter 11 - Steroidogenic Enzymes in the Brain: Morphological Aspects. 2010, 181:193-207.