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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1193
CHEMBL1193
Compound Name PHENIRAMINE
ChEMBL Synonyms DANERAL-SA | PHENIRAMINE | AVIL RET | PHENIRAMINE MALEATE
Max Phase 4 (Approved)
Trade Names DANERAL-SA | AVIL RET
Molecular Formula C16H20N2

Additional synonyms for CHEMBL1193 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCC(c1ccccc1)c2ccccn2
Standard InChI InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7 ...
Download InChI
Standard InChI Key IJHNSHDBIRRJRN-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


CHEMBL1193

Molecule Features

CHEMBL1193 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture 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
Histamine H1 receptor antagonist Histamine H1 receptor PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Common ColdD003139EFO:0007214common cold3ClinicalTrials
ClinicalTrials
Influenza, HumanD007251EFO:0001669influenza infection3ClinicalTrials
PruritusD011537HP:0000989Pruritus4ATC

Clinical Data

ClinicalTrials.gov PHENIRAMINE
The Cochrane Collaboration PHENIRAMINE

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 CHEMBL1193. 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
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.999
CHEMBL5076 Histamine H3 receptor Cavia porcellus 0.988
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.975
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.462
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.226



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.993
CHEMBL5076 Histamine H3 receptor Cavia porcellus 0.984
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.836
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.659
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.572
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.570
CHEMBL1878 Calcium sensing receptor Homo sapiens 0.311

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
240.4 240.1626 3.17 5 16.13 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.36 2.2 .24 2 18 0.8

Structural Alerts

There are no structural alerts for CHEMBL1193

Compound Cross References

ATC D - DERMATOLOGICALS
D04 - ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04A - ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04AA - Antihistamines for topical use
D04AA16 - pheniramine

R - RESPIRATORY SYSTEM
R06 - ANTIHISTAMINES FOR SYSTEMIC USE
R06A - ANTIHISTAMINES FOR SYSTEMIC USE
R06AB - Substituted alkylamines
R06AB05 - pheniramine

ChemSpider ChemSpider:IJHNSHDBIRRJRN-UHFFFAOYSA-N
PubChem SID: 90341510
Wikipedia Pheniramine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1193



ACToR 86-21-5
BindingDB 50017656
ChEBI 91591
DrugBank DB01620
DrugCentral 2132
eMolecules 902299
EPA CompTox Dashboard DTXSID0023454
Guide to Pharmacology 7267
Human Metabolome Database HMDB0015557
IBM Patent System 7D5A6B10EE11FE09A83798EEA68C07F7
LINCS LSM-1397
Mcule MCULE-7152203152
Nikkaji J4.935B
PharmGKB PA164744506
PubChem 4761
PubChem: Thomson Pharma 15196427
SureChEMBL SCHEMBL4796

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