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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110710
CHEMBL2110710
Compound Name PAMATOLOL
ChEMBL Synonyms PAMATOLOL SULFATE | H 104/08
Max Phase 0
Trade Names
Molecular Formula C16H26N2O4

Additional synonyms for CHEMBL2110710 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)NCCc1ccc(OCC(O)CNC(C)C)cc1
Standard InChI InChI=1S/C16H26N2O4/c1-12(2)18-10-14(19)11-22-15-6-4-13(5-7- ...
Download InChI
Standard InChI Key UGENBJKPPGFFAT-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2110710

Molecule Features

CHEMBL2110710 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PAMATOLOL
The Cochrane Collaboration PAMATOLOL

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
310.4 310.1893 1.32 9 79.82 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.44 9.44 1.1 -1.01 1 22 0.64

Structural Alerts

There are 2 structural alerts for CHEMBL2110710. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UGENBJKPPGFFAT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110710



ACToR 59110-35-9
IBM Patent System C5E9FDFD143A2AEDA5F4479D65B41E39
MolPort MolPort-046-418-774
PubChem 43150
PubChem: Thomson Pharma 14752175
SureChEMBL SCHEMBL828220

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