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

General Information of Drug (ID: DR1331)
Drug Name
Prednicarbate
Synonyms
Peitel; Prednicarbat; Prednicarbate (USP/INN); Prednicarbato; Prednicarbato [INN-Spanish]; Prednicarbatum; Prednicarbatum [INN-Latin]; Prednitop; Regenit; Dermatop; Dermatop (TN); Dermatop E emollient; PREDNICARBATE; S 770777; S-770777; V901LV1K7D; 73771-04-7; EINECS 277-590-3; Hoe 777; Hoe-777; MLS002154121; UNII-V901LV1K7D; [2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Indication Ascariasis [ICD11: 1F62] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 488.6 Topological Polar Surface Area 116
Heavy Atom Count 35 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
6714002
PubChem SID
11467072 ; 11468192 ; 11486640 ; 12013808 ; 14810426 ; 17190443 ; 43333414 ; 47207264 ; 47574670 ; 47871009 ; 47945107 ; 48244692 ; 49699264 ; 50124068 ; 50655143 ; 56463553 ; 57371370 ; 71825010 ; 85787547 ; 92125934 ; 92720065 ; 103770369 ; 103914660 ; 114951144 ; 121363605 ; 124799601 ; 126620396 ; 126651370 ; 134223290 ; 135012724 ; 137240385 ; 144204238 ; 163835804 ; 164232786 ; 164814618 ; 175267150 ; 175612124 ; 179149412 ; 196105692 ; 223365940 ; 223680208 ; 226396028 ; 252356176
ChEBI ID
CHEBI:135791
CAS Number
73771-04-7
TTD Drug ID
D09IEE
Formula
C27H36O8
Canonical SMILES
CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC
InChI
1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1
InChIKey
FNPXMHRZILFCKX-KAJVQRHHSA-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
Prednisolone 17-ethylcarbonate DM002932
128526
Oxidation - Hydroxylation 1 [3]
Prednisolone 21-ethylcarbonate DM002933
10002923
Other reaction - Nonenzymatic Transformation 2 [3]
Prednisolone DM003078
5755
Oxidation - Hydroxylation 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002759 Prednicarbate Prednisolone 17-ethylcarbonate Oxidation - Hydroxylation Unclear [3]
MR002757 Prednisolone 17-ethylcarbonate Prednisolone 21-ethylcarbonate Other reaction - Nonenzymatic Transformation Unclear [3]
MR002758 Prednisolone 21-ethylcarbonate Prednisolone Oxidation - Hydroxylation Unclear [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 Prednicarbate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 HEP Drug interaction: daclatasvir and abacavir.
3 Prednicarbate biotransformation in human foreskin keratinocytes and fibroblasts Pharm Res. 1997 Jun;14(6):793-7. doi: 10.1023/a:1012162708675.

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