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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908315
CHEMBL1908315
Compound Name GEMEPROST
ChEMBL Synonyms CERVAGEM | GEMEPROST | SC-37681
Max Phase 4 (Approved)
Trade Names CERVAGEM
Molecular Formula C23H38O5

Additional synonyms for CHEMBL1908315 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\ ...
Download SMILES
Standard InChI InChI=1S/C23H38O5/c1-5-6-15-23(2,3)21(26)14-13-18-17(19(24)1 ...
Download InChI
Standard InChI Key KYBOHGVERHWSSV-VNIVIJDLSA-N

Sources

  • British National Formulary
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1908315

Molecule Features

CHEMBL1908315 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov GEMEPROST
The Cochrane Collaboration GEMEPROST

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 CHEMBL1908315. 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
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 1.000
CHEMBL2181 Prostanoid EP1 receptor Mus musculus 1.000
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL2489 Prostanoid EP4 receptor Mus musculus 1.000
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 1.000
CHEMBL4336 Prostanoid EP3 receptor Mus musculus 1.000
CHEMBL1836 Prostanoid EP4 receptor Homo sapiens 1.000
CHEMBL1995 Prostanoid IP receptor Homo sapiens 0.898
CHEMBL299 Protein kinase C alpha Homo sapiens 0.483
CHEMBL4909 Prostanoid EP2 receptor Rattus norvegicus 0.290



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1987 Prostanoid FP receptor Homo sapiens 1.000
CHEMBL2488 Prostanoid EP2 receptor Mus musculus 1.000
CHEMBL1881 Prostanoid EP2 receptor Homo sapiens 1.000
CHEMBL2181 Prostanoid EP1 receptor Mus musculus 1.000
CHEMBL1811 Prostanoid EP1 receptor Homo sapiens 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
CHEMBL1995 Prostanoid IP receptor Homo sapiens 0.997
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.962
CHEMBL3710 Prostanoid EP3 receptor Homo sapiens 0.678
CHEMBL4909 Prostanoid EP2 receptor Rattus norvegicus 0.444
CHEMBL299 Protein kinase C alpha Homo sapiens 0.401
CHEMBL1977 Vitamin D receptor Homo sapiens 0.380

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
394.6 394.2719 3.98 12 83.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.84 - 4.12 4.12 0 28 0.23

Structural Alerts

There are 10 structural alerts for CHEMBL1908315. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G02 - OTHER GYNECOLOGICALS
G02A - UTEROTONICS
G02AD - Prostaglandins
G02AD03 - gemeprost

ChemSpider ChemSpider:KYBOHGVERHWSSV-VNIVIJDLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908315



ACToR 64318-79-2
ChEBI 135626
DrugBank DB08964
DrugCentral 1284
FDA SRS 45KZB1FOLS
Nikkaji J3.207G
PubChem 5282237
PubChem: Thomson Pharma 15005071
SureChEMBL SCHEMBL343075
ZINC ZINC000004216393

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