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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL815
CHEMBL815
Compound Name DINOPROST
ChEMBL Synonyms PGF2ALPHA THAM | Prostaglandin F 2 Alpha | U-14,583E | U-14,583 | DINOPROST | DINOPROST TROMETAMOL | DINOPROST TROMETHAMINE | Lutalyse | PGF2A | PROSTIN F2 ALPHA
Max Phase 4 (Approved)
Trade Names Dinoprost Trometamol | PGF2A | PROSTIN F2 ALPHA | Lutalyse | Prostaglandin F 2 Alpha
Molecular Formula C20H34O5

Additional synonyms for CHEMBL815 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(= ...
Download SMILES
Standard InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(1 ...
Download InChI
Standard InChI Key PXGPLTODNUVGFL-YNNPMVKQSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL815

Molecule Features

CHEMBL815 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Prostanoid FP receptor agonist Prostanoid FP receptor ISBN

Clinical Data

ClinicalTrials.gov DINOPROST
The Cochrane Collaboration DINOPROST

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL815. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 1.000
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 1.000
CHEMBL2181 Prostanoid EP1 receptor Mus musculus 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 1.000
CHEMBL2489 Prostanoid EP4 receptor Mus musculus 1.000
CHEMBL4336 Prostanoid EP3 receptor Mus musculus 1.000
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 1.000
CHEMBL4427 Prostanoid DP receptor Homo sapiens 1.000
CHEMBL4086 Prostanoid EP4 receptor Rattus norvegicus 1.000
CHEMBL4909 Prostanoid EP2 receptor Rattus norvegicus 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL1995 Prostanoid IP receptor Homo sapiens 1.000
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 0.998
CHEMBL2966 Adenosine deaminase Bos taurus 0.993
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 0.870
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.683
CHEMBL3037 Cannabinoid CB1 receptor Mus musculus 0.499



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 1.000
CHEMBL4336 Prostanoid EP3 receptor Mus musculus 1.000
CHEMBL2489 Prostanoid EP4 receptor Mus musculus 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 1.000
CHEMBL2181 Prostanoid EP1 receptor Mus musculus 1.000
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 1.000
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 1.000
CHEMBL1995 Prostanoid IP receptor Homo sapiens 1.000
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 1.000
CHEMBL4427 Prostanoid DP receptor Homo sapiens 1.000
CHEMBL3156 Thromboxane A2 receptor Rattus norvegicus 1.000
CHEMBL4909 Prostanoid EP2 receptor Rattus norvegicus 1.000
CHEMBL4086 Prostanoid EP4 receptor Rattus norvegicus 1.000
CHEMBL1628461 Oxoeicosanoid receptor 1 Homo sapiens 1.000
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 1.000
CHEMBL3911 Leukotriene B4 receptor 1 Homo sapiens 0.998
CHEMBL402 HMG-CoA reductase Homo sapiens 0.996

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
354.5 354.2406 3.04 12 97.99 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.76 - 2.59 -.02 0 25 0.32

Structural Alerts

There are 4 structural alerts for CHEMBL815. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G02 - OTHER GYNECOLOGICALS
G02A - UTEROTONICS
G02AD - Prostaglandins
G02AD01 - dinoprost

ChemSpider ChemSpider:PXGPLTODNUVGFL-YNNPMVKQSA-N
PubChem SID: 144205330 SID: 29216066
Wikipedia Prostaglandin_F2alpha

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL815



ACToR 551-11-1 13535-33-6
Atlas prostaglandin F2alpha
BindingDB 50035622
Brenda 154397 33679 8976 2217 103923 153412 107133 81583 132131
ChEBI 15553
ChemicalBook CB3161368
DrugBank DB12789
DrugCentral 912
eMolecules 1934587
EPA CompTox Dashboard DTXSID9022946
FDA SRS B7IN85G1HY
Guide to Pharmacology 1884
IBM Patent System CC8F81139592600C5D8CD2756563CBF9
KEGG Ligand C00639
LINCS LSM-45599
LipidMaps LMFA03010002
Metabolights MTBLC15553
MolPort MolPort-005-940-967
Nikkaji J9.246K
PubChem 5280363
PubChem: Thomson Pharma 14852168 15398784
SureChEMBL SCHEMBL24292
ZINC ZINC000003830709

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PXGPLTODNUVGFL-YNNPMVKQSA-N spacer
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