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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL324665
CHEMBL324665
Compound Name CARAZOLOL
ChEMBL Synonyms BM 51052 | CARAZOLOL
Max Phase 0
Trade Names
Molecular Formula C18H22N2O2

Additional synonyms for CHEMBL324665 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
Standard InChI InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18 ...
Download InChI
Standard InChI Key BQXQGZPYHWWCEB-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL324665

Molecule Features

CHEMBL324665 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 CARAZOLOL
The Cochrane Collaboration CARAZOLOL

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 CHEMBL324665. 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
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.996
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.885
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.674
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.633
CHEMBL4031 Beta-3 adrenergic receptor Rattus norvegicus 0.553



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.986
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.962
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.861
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.709
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.552
CHEMBL4031 Beta-3 adrenergic receptor Rattus norvegicus 0.478
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.297
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.205

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
298.4 298.1681 3.13 6 57.28 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.94 9.54 3.63 1.44 3 22 0.66

Structural Alerts

There are 1 structural alerts for CHEMBL324665. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BQXQGZPYHWWCEB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL324665



BindingDB 50027663
ChEBI 135261
DrugCentral 487
eMolecules 6842737
Guide to Pharmacology 569
IBM Patent System B7FB042A82605938CF0BB6316F467909 26C03F500997F8F4DB1C4BB0637E40EB
MolPort MolPort-003-845-579
Nikkaji J12.594F
PubChem 71739
PubChem: Thomson Pharma 15468496
SureChEMBL SCHEMBL77901

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