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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1305
CHEMBL1305
Compound Name ANTAZOLINE
ChEMBL Synonyms ANTAZOLINE PHOSPHATE | R.B.C. | ANTAZ SULF | ANTAZOLINE HYDROCHLORIDE | VASOCON-A | ANTAZ HCL | ANTAZOLINE
Max Phase 4 (Approved)
Trade Names VASOCON-A | ANTAZ SULF | ANTAZ HCL | R.B.C.
Molecular Formula C17H19N3

Additional synonyms for CHEMBL1305 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3
Standard InChI InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17 ...
Download InChI
Standard InChI Key REYFJDPCWQRWAA-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1305

Molecule Features

CHEMBL1305 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Histamine H1 receptor antagonist Histamine H1 receptor PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HypersensitivityD006967EFO:0003785allergy4ATC
PterygiumD011625EFO:0000678pterygium3ClinicalTrials
Nasal ObstructionD015508HP:0001742Nasal obstruction4ATC
InflammationD007249MP:0001845inflammation3ClinicalTrials

Clinical Data

ClinicalTrials.gov ANTAZOLINE
The Cochrane Collaboration ANTAZOLINE

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 CHEMBL1305. 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
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 1.000
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.999
CHEMBL3572 Cholesteryl ester transfer protein Homo sapiens 0.999
CHEMBL3923 Nischarin Homo sapiens 0.998
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.838
CHEMBL6164 Tankyrase-1 Homo sapiens 0.558
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.280



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 1.000
CHEMBL1163116 Cholesteryl ester transfer protein Oryctolagus cuniculus 1.000
CHEMBL3572 Cholesteryl ester transfer protein Homo sapiens 1.000
CHEMBL3923 Nischarin Homo sapiens 0.999
CHEMBL5221 Nischarin Rattus norvegicus 0.987
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.971
CHEMBL6164 Tankyrase-1 Homo sapiens 0.824
CHEMBL4481 Nitric oxide synthase, inducible Homo sapiens 0.676
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.564
CHEMBL4306 Voltage-gated potassium channel subunit Kv1.5 Homo sapiens 0.328
CHEMBL6154 Tankyrase-2 Homo sapiens 0.252

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
265.4 265.1579 2.69 5 27.63 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.29 3.58 1.62 2 20 0.9

Structural Alerts

There are no structural alerts for CHEMBL1305

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AC - Antiallergic agents, excl. corticosteroids
R01AC04 - antazoline

R - RESPIRATORY SYSTEM
R06 - ANTIHISTAMINES FOR SYSTEMIC USE
R06A - ANTIHISTAMINES FOR SYSTEMIC USE
R06AX - Other antihistamines for systemic use
R06AX05 - antazoline

ChemSpider ChemSpider:REYFJDPCWQRWAA-UHFFFAOYSA-N
PubChem SID: 11112519 SID: 11113348 SID: 124882433 SID: 50100471 SID: 50100472
Wikipedia Antazoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1305



ACToR 91-75-8
BindingDB 76862
ChEBI 84115
DrugBank DB08799
DrugCentral 224
eMolecules 1985517
EPA CompTox Dashboard DTXSID3022613
FDA SRS DHA8014SS1
Guide to Pharmacology 7116
Human Metabolome Database HMDB0015689
IBM Patent System CE50051E48A21D68946A8B3F7816726B
LINCS LSM-6023
Mcule MCULE-7710878667
MolPort MolPort-006-110-418
Nikkaji J4.345A
PubChem 2200
PubChem: Thomson Pharma 15070645
SureChEMBL SCHEMBL9437
ZINC ZINC000000057204

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