General Information of Drug (ID: DMXQKSL)

Drug Name
Dinoprost Tromethamine
Synonyms
Dinolytic; Ensaprost; Lutalyse; Prostamate; Zinoprost; Panacelan F tromethamine salt; Pronalgon F; Prostalmon F; PGF2alpha THAM; PGF2alpha tromethamine; PROSTAGLANDIN F2ALPHA TRIS SALT; Prostaglandin F2a tromethamine; Prostaglandin F2alpha tham; Prostaglandin F2alpha tromethamine; Prostin F2 alpha; U 14585; Dinoprost tromethamine [USAN:JAN]; Dinoprost, trometamol salt; Enzaprost F compd. with trisamine; Lutalyse (Veterinary); PGF2-alpha tham; PGF2-alpha tris salt; PGF2-alpha tromethamine; PGF2-alpha tromethamine salt; PGF2alpha-Tris; Prostaglandin F(sub 2a) tromethamine; Prostaglandin F-2alpha tromethamine salt; Prostaglandin F2-alpha THAM; Prostaglandin F2-alpha THAM salt; Prostaglandin F2-alpha tromethamine; Prostin F2 alpha (TN); THAM PGF2-alpha; Tromethamine prostaglandin F2-alpha; U-14583E; Dinoprost tromethamine (JAN/USP); Protaglandin F2-alpha-tham salt; U-14,583E; Prosta-5,13-dien-1-oic acid, (5Z,9-alpha,11-alpha,13E,15S)-9,11,15-trihydroxy-, compd. with trimethylolaminomethane; Prosta-5,13-dien-1-oic acid, (5Z,9-alpha,11-alpha,13E,15S)-9,11,15-trihydroxy-,compd. with trimethylolaminomethane; Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9alpha,11alpha,13E,15S)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1); (5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoic acid tris salt; (E,Z)-(1R,2R,3R,5S)-7-(3,5-Dihydroxy-2-((3S)-(3-hydroxy-1-octenyl))cyclopentyl)-5-heptenoic acid compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1); (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid; 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (5Z,9alpha,11alpha,13E,15S)-9,11,15-trihydroxyprosta-5,13-dien-1-oate (salt); 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-, tham; 7-(3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl)-5-heptenoic acid, tromethamine salt
Indication
Disease Entry ICD 11 Status REF
Abortion JA00 Approved [1]
Therapeutic Class
Abortifacient Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
2
Molecular Weight 475.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 15
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 9
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 3 - 6 hours (amniotic fluid), and less than 1 minute (intravenous adminutesistration) [2]
Metabolism
The drug is metabolized via the lung []
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Miosis Not Available AVPR1A OTKR8AFL [3]
Chemical Identifiers
Formula
C24H45NO8
IUPAC Name
2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Canonical SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O
InChI
InChI=1S/C20H34O5.C4H11NO3/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;5-4(1-6,2-7)3-8/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25);6-8H,1-3,5H2/b7-4-,13-12+;/t15-,16+,17+,18-,19+;/m0./s1
InChIKey
IYGXEHDCSOYNKY-RZHHZEQLSA-N
Cross-matching ID
PubChem CID
5282415
ChEBI ID
CHEBI:31502
CAS Number
38562-01-5
DrugBank ID
DB01160
TTD ID
D04RGA
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostacyclin receptor (PTGIR) TTOFYT1 PI2R_HUMAN Antagonist [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Vasopressin V1a receptor (AVPR1A) OTKR8AFL V1AR_HUMAN Drug Response [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Abortion
ICD Disease Classification JA00
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostacyclin receptor (PTGIR) DTT PTGIR 7.12E-02 -0.13 -0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drug information of Dinoprost Tromethamine, 2008. eduDrugs.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
4 Palmitoylation of the human prostacyclin receptor. Functional implications of palmitoylation and isoprenylation. J Biol Chem. 2003 Feb 28;278(9):6947-58.