NAFTOPIDIL

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Synonyms
Status
Molecule Category Free-form
UNII R9PHW59SFN
EPA CompTox DTXSID5045176

Structure

InChI Key HRRBJVNMSRJFHQ-UHFFFAOYSA-N
Smiles COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
InChI
InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28N2O3
Molecular Weight 392.5
AlogP 3.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 45.17
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Alpha-1d adrenergic receptor antagonist ANTAGONIST PubMed PubMed
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 Adrenergic receptor
- 55.2-634 11.75-177.83 1.202-39 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 55.2-634 - 1.202-19.95 -
Rattus norvegicus
- - 11.75-177.83 - 47.53-65.15

Target Conservation

Protein: Alpha-1d adrenergic receptor
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873

Cross References

Resources Reference
ChEBI 31891
ChEMBL CHEMBL142635
DrugBank DB12092
DrugCentral 1873
FDA SRS R9PHW59SFN
PubChem 4418
SureChEMBL SCHEMBL113215
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