PHENINDAMINE

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Synonyms
Status
Molecule Category Free-form
ATC R06AX04
UNII 772BQ8KSST
EPA CompTox DTXSID0023452

Structure

InChI Key ISFHAYSTHMVOJR-UHFFFAOYSA-N
Smiles CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12
InChI
InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19N
Molecular Weight 261.37
AlogP 3.92
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 36 1.585 6.31 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 36 1.585 6.31 -

Cross References

Resources Reference
ChEBI 8065
ChEMBL CHEMBL278398
DrugBank DB01619
DrugCentral 2129
FDA SRS 772BQ8KSST
Human Metabolome Database HMDB0015556
KEGG C07790
PharmGKB PA164750491
PubChem 11291
SureChEMBL SCHEMBL29502
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