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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110772
CHEMBL2110772
Compound Name CICLOPROLOL
ChEMBL Synonyms CICLOPROLOL HYDROCHLORIDE | CYCLOPROLOL | SL 75 177-10
Max Phase 0
Trade Names
Molecular Formula C18H29NO4

Additional synonyms for CHEMBL2110772 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NCC(O)COc1ccc(OCCOCC2CC2)cc1
Standard InChI InChI=1S/C18H29NO4/c1-14(2)19-11-16(20)13-23-18-7-5-17(6-8-1 ...
Download InChI
Standard InChI Key JNDJPKHYZWRRIS-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2110772

Molecule Features

CHEMBL2110772 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 CICLOPROLOL
The Cochrane Collaboration CICLOPROLOL

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
323.4 323.2097 2.3 12 59.95 BASE


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
13.92 9.46 2.35 .23 1 23 0.58

Structural Alerts

There are 2 structural alerts for CHEMBL2110772. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JNDJPKHYZWRRIS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110772



ACToR 91094-14-3 63659-12-1 94651-09-9
ChEBI 135377
DrugCentral 637
Guide to Pharmacology 552
IBM Patent System 4500B8DBC40E6A923C183E96C853B473
Nikkaji J276.466K
PubChem 146294
PubChem: Thomson Pharma 15074408
SureChEMBL SCHEMBL634972

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