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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL491510
CHEMBL491510
Compound Name TALERANOL
ChEMBL Synonyms P-1560 | TALERANOL
Max Phase 0
Trade Names
Molecular Formula C18H26O5

Additional synonyms for CHEMBL491510 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
Standard InChI InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11 ...
Download InChI
Standard InChI Key DWTTZBARDOXEAM-JSGCOSHPSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL491510

Molecule Features

CHEMBL491510 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TALERANOL
The Cochrane Collaboration TALERANOL

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 CHEMBL491510. 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
CHEMBL242 Estrogen receptor beta Homo sapiens 1.000
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.994
CHEMBL1951 Monoamine oxidase A Homo sapiens 0.905
CHEMBL287 Sigma opioid receptor Homo sapiens 0.265

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL242 Estrogen receptor beta Homo sapiens 1.000
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.998
CHEMBL1951 Monoamine oxidase A Homo sapiens 0.954
CHEMBL1741203 Scavenger receptor class B member 1 Mus musculus 0.219

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
322.4 322.178 3.29 0 86.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.08 - 4.65 4.51 1 23 0.64

Structural Alerts

There are 1 structural alerts for CHEMBL491510. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DWTTZBARDOXEAM-JSGCOSHPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL491510



ACToR 42422-68-4
BindingDB 50250268
ChEBI 35071
eMolecules 596276
EPA CompTox Dashboard DTXSID3022532
FDA SRS HUN219N434
IBM Patent System 869DB78DEB4A725E8477F10B58CD77D0
KEGG Ligand C14753
Mcule MCULE-3886817675
MolPort MolPort-002-941-952
Nikkaji J16.878E
PubChem 65434
PubChem: Thomson Pharma 14950952
SureChEMBL SCHEMBL343276
ZINC ZINC000003831617

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