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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1742443
CHEMBL1742443
Compound Name RIDAZOLOL
ChEMBL Synonyms RIDAZOLOL
Max Phase 0
Trade Names
Molecular Formula C15H18Cl2N4O3

Additional synonyms for CHEMBL1742443 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CNCCNC1=C(Cl)C(=O)NN=C1)COc2ccccc2Cl
Standard InChI InChI=1S/C15H18Cl2N4O3/c16-11-3-1-2-4-13(11)24-9-10(22)7-18- ...
Download InChI
Standard InChI Key UUWABVCZFXKHSU-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1742443

Molecule Features

CHEMBL1742443 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 RIDAZOLOL
The Cochrane Collaboration RIDAZOLOL

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1742443. 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
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.916
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.304
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.240

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 0.999
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.989
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 0.932
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 0.788
CHEMBL4302 P-glycoprotein 1 Homo sapiens 0.365
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.278
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 0.230

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
373.2 372.0756 1.52 9 99.27 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.34 8.61 1.74 .34 2 24 0.5

Structural Alerts

There are 3 structural alerts for CHEMBL1742443. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UUWABVCZFXKHSU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1742443



IBM Patent System DA14D8ACA230F31BE15D5F4965AAD5DF
Nikkaji J23.279C
PubChem 71265
PubChem: Drugs of the Future 12012893
PubChem: Thomson Pharma 14979019
SureChEMBL SCHEMBL1254594

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