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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110995
CHEMBL2110995
Compound Name PIMINODINE
ChEMBL Synonyms ALVODINE ETHANESULFONATE | PIMINODINE ESYLATE | PIMINODINE ETHANESULFONATE
Max Phase 0
Trade Names
Molecular Formula C23H30N2O2

Additional synonyms for CHEMBL2110995 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C1(CCN(CCCNc2ccccc2)CC1)c3ccccc3
Standard InChI InChI=1S/C23H30N2O2/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18 ...
Download InChI
Standard InChI Key PXXKIYPSXYFATG-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2110995

Molecule Features

CHEMBL2110995 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PIMINODINE
The Cochrane Collaboration PIMINODINE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
366.5 366.2307 4.09 8 41.57 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.07 4.44 3.69 2 27 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL2110995. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PXXKIYPSXYFATG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110995



ACToR 13495-09-5
ChEBI 135546
DrugCentral 2170
EPA CompTox Dashboard DTXSID60159149
FDA SRS 3IIX447HWS
IBM Patent System 4384F63FB9D03792B534BFA1C879AE69
Nikkaji J8.122A
PubChem 21950
PubChem: Thomson Pharma 14877154
SureChEMBL SCHEMBL26477
ZINC ZINC000004217303

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