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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL761
CHEMBL761
Compound Name NAPHAZOLINE
ChEMBL Synonyms ANTISTIN-PRIVINE | NAPHAZ HCL | NAPHAZOLINE NITRATE | OPCON | NAPHAZOLINE | NAPHCON FORTE | ALBALON | Nafazair | GPPE NSL SOLN | NAPHAZOLINE HYDROCHLORIDE | VASOCON | NAFAZAIR | NAPHCON
Max Phase 4 (Approved)
Trade Names NAFAZAIR | NAPHCON | OPCON | ALBALON | NAPHAZ HCL | GPPE NSL SOLN | NAPHAZOLINE HYDROCHLORIDE | NAPHCON FORTE | VASOCON | ANTISTIN-PRIVINE
Molecular Formula C14H14N2

Additional synonyms for CHEMBL761 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(C1=NCCN1)c2cccc3ccccc23
Standard InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9- ...
Download InChI
Standard InChI Key CNIIGCLFLJGOGP-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • 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


CHEMBL761

Molecule Features

CHEMBL761 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:Over-The-Counter

Mechanism of Action

Mechanism of Action ChEMBL Target References
Adrenergic receptor alpha agonist Adrenergic receptor alpha PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PterygiumD011625EFO:0000678pterygium3ClinicalTrials
Conjunctivitis, AllergicD003233EFO:0007141allergic conjunctivitis3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
InflammationD007249MP:0001845inflammation3ClinicalTrials
Eye ManifestationsD005132EFO:0005751eye allergy4ATC
ATC
Common ColdD003139EFO:0007214common cold3ClinicalTrials
ClinicalTrials
Influenza, HumanD007251EFO:0001669influenza infection3ClinicalTrials
ClinicalTrials
Nasal ObstructionD015508HP:0001742Nasal obstruction4ATC
ATC

Clinical Data

ClinicalTrials.gov NAPHAZOLINE
The Cochrane Collaboration NAPHAZOLINE

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 CHEMBL761. 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
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 1.000
CHEMBL222 Norepinephrine transporter Homo sapiens 1.000
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.988
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.988
CHEMBL228 Serotonin transporter Homo sapiens 0.987
CHEMBL5221 Nischarin Rattus norvegicus 0.971
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.968
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.928
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.912
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.812
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.719
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.587
CHEMBL238 Dopamine transporter Homo sapiens 0.497
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.364
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 0.342
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.276



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5221 Nischarin Rattus norvegicus 1.000
CHEMBL3923 Nischarin Homo sapiens 1.000
CHEMBL222 Norepinephrine transporter Homo sapiens 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.999
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.998
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.990
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.984
CHEMBL1898 Serotonin 1b (5-HT1b) receptor Homo sapiens 0.980
CHEMBL228 Serotonin transporter Homo sapiens 0.977
CHEMBL238 Dopamine transporter Homo sapiens 0.961
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 0.957
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.918
CHEMBL3358 Monoamine oxidase A Rattus norvegicus 0.877
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.860
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.838
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.755
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.703
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.302
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.274
CHEMBL2414 C-C chemokine receptor type 4 Homo sapiens 0.270

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
210.3 210.1157 2.38 2 24.39 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.27 2.99 1.04 2 16 0.81

Structural Alerts

There are no structural alerts for CHEMBL761

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AB - Sympathomimetics, combinations excl. corticosteroids
R01AB02 - naphazoline

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01G - DECONGESTANTS AND ANTIALLERGICS
S01GA - Sympathomimetics used as decongestants
S01GA51 - naphazoline, combinations

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01G - DECONGESTANTS AND ANTIALLERGICS
S01GA - Sympathomimetics used as decongestants
S01GA01 - naphazoline

R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AA - Sympathomimetics, plain
R01AA08 - naphazoline

ChemSpider ChemSpider:CNIIGCLFLJGOGP-UHFFFAOYSA-N
DailyMed naphazoline hydrochloride
PubChem SID: 11112411 SID: 26751615
Wikipedia Naphazoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL761



BindingDB 50001922
ChEBI 93363
DrugBank DB06711
DrugCentral 3369
eMolecules 975735
EPA CompTox Dashboard DTXSID3048449
FDA SRS H231GF11BV
Guide to Pharmacology 5509
Human Metabolome Database HMDB0015656
IBM Patent System 33C3666481CD3143FE73238006141B49
LINCS LSM-3737
Mcule MCULE-9097339235
MolPort MolPort-001-641-043
Nikkaji J7.133A
PharmGKB PA165958384
PubChem 4436
PubChem: Thomson Pharma 14822445
SureChEMBL SCHEMBL34532
ZINC ZINC000000119717

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