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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104548
CHEMBL2104548
Compound Name ANIPAMIL
ChEMBL Synonyms ANIPAMIL
Max Phase 0
Trade Names
Molecular Formula C34H52N2O2

Additional synonyms for CHEMBL2104548 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCC(CCCN(C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2
Standard InChI InChI=1S/C34H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35, ...
Download InChI
Standard InChI Key PHFDAOXXIZOUIX-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL2104548

Molecule Features

CHEMBL2104548 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
520.8 520.4029 9.88 21 45.49 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 2 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.9 6.14 -1.23 -1.25 2 38 0.15

Structural Alerts

There are 9 structural alerts for CHEMBL2104548. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PHFDAOXXIZOUIX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104548



ACToR 83200-10-6
IBM Patent System EDAD33B8E82147EA5BEF164A52C86B64
Nikkaji J33.399I
PubChem 54966
PubChem: Drugs of the Future 12012637
PubChem: Thomson Pharma 14885122
SureChEMBL SCHEMBL247837

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