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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL126075
CHEMBL126075
Compound Name DILAZEP
ChEMBL Synonyms Dilazep Hydrochloride | DILAZEP | DILAZEP DIHYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C31H44N2O10

Additional synonyms for CHEMBL126075 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC ...
Download SMILES
Standard InChI InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30 ...
Download InChI
Standard InChI Key QVZCXCJXTMIDME-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL126075

Molecule Features

CHEMBL126075 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease0ATC

Clinical Data

ClinicalTrials.gov DILAZEP
The Cochrane Collaboration DILAZEP

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
604.7 604.2996 3.54 16 114.46 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 0 2 12 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.02 5.53 3.91 2 43 0.21

Structural Alerts

There are 3 structural alerts for CHEMBL126075. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01D - VASODILATORS USED IN CARDIAC DISEASES
C01DX - Other vasodilators used in cardiac diseases
C01DX10 - dilazep

ChemSpider ChemSpider:QVZCXCJXTMIDME-UHFFFAOYSA-N
PubChem SID: 104171321 SID: 11111074 SID: 11112657 SID: 11113524 SID: 124882501 SID: 144204139 SID: 170465831 SID: 26751736 SID: 50111024 SID: 90340761
Wikipedia Dilazep

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL126075



ACToR 35898-87-4
BindingDB 50017691
ChEBI 92842
DrugCentral 893
eMolecules 1934309
EPA CompTox Dashboard DTXSID9045425
FDA SRS F8KLC2BD5Z
Guide to Pharmacology 4717
IBM Patent System EA5A62FF5904AE8ACE9A9BCB6C84C067
LINCS LSM-3068
Nikkaji J19.442E
PubChem 3074
PubChem: Thomson Pharma 14813845
SureChEMBL SCHEMBL48830
ZINC ZINC000022454221

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