Details of the Drug

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]
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Therapeutic Class

Abortifacient Agents

Affected Organisms

Humans and other mammals

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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

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]
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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
UNII: CT6BBQ5A68
DrugBank ID: DB01160
TTD ID: D04RGA

Repurposed Drugs (RPD)

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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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Vasopressin V1a receptor (AVPR1A)	OTKR8AFL	V1AR_HUMAN	Drug Response	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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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.