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

General Information of Drug (ID: DR0511)
Drug Name
Dinoprostone
Synonyms
Dinoproston; Dinoprostona; Dinoprostona [INN-Spanish]; Dinoprostone; Dinoprostonum; Dinoprostonum [INN-Latin]; Minprositin E2; Minprostin E2; Cervidil; PGE2alpha; Prepidil; Propess; Prostaglandin E; Prostaglandin E2; Prostaglandin E2alpha; Prostarmon E; Prostin; Prostin E2; U-12062; l-PGE2; l-Prostaglandin E2; (15S)-Prostaglandin E2; (5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid; 363-24-6; NSC 165560; PGE2; UNII-K7Q1JQR04M; [3H]PGE2
Indication Abortion [ICD11: JA00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 352.5 Topological Polar Surface Area 94.8
Heavy Atom Count 25 Rotatable Bond Count 12
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
5280360
PubChem SID
3863 ; 439749 ; 450259 ; 599053 ; 803734 ; 3139923 ; 3727087 ; 4265954 ; 7847147 ; 7979101 ; 8143217 ; 8616235 ; 10321741 ; 14778621 ; 14900948 ; 24898100 ; 24898683 ; 24898775 ; 26753268 ; 26753269 ; 26753270 ; 26759401 ; 39289526 ; 46505549 ; 47662021 ; 47810515 ; 47885164 ; 48415907 ; 50026789 ; 50087222 ; 50105678 ; 50105679 ; 53789659 ; 56313306 ; 56314112 ; 56459056 ; 57357707 ; 75054349 ; 85789494 ; 85856640 ; 92298396 ; 92308753 ; 92309906 ; 92722489 ; 99300820 ; 99302338 ; 99431525 ; 103176817 ; 104017641 ; 104046436
ChEBI ID
ChEBI:15551
CAS Number
363-24-6
TTD Drug ID
D06FEA
Formula
C20H32O5
Canonical SMILES
CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
InChI
1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChIKey
XEYBRNLFEZDVAW-ARSRFYASSA-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 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000871 Dinoprostone . Unclear HPGD [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 4F2 (CYP4F2) DME0025 Homo sapiens
CP4F2_HUMAN
1.14.13.30
[3]
Prostaglandin dehydrogenase 1 (HPGD) DME0566 Homo sapiens
PGDH_HUMAN
1.1.1.141
[4]
References
1 Dinoprostone was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Effects of polyunsaturated fatty acids on prostaglandin synthesis and cyclooxygenase-mediated DNA adduct formation by heterocyclic aromatic amines in human adenocarcinoma colon cells. Mol Carcinog. 2004 Jul;40(3):180-8.
3 Cloning and characterization of CYP4F21: a prostaglandin E2 20-hydroxylase of ram seminal vesicles. Arch Biochem Biophys. 2001 May 1;389(1):123-9.
4 LABEL:ERVIDIL- dinoprostone insert

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