SILODOSIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G04CA04
UNII CUZ39LUY82
EPA CompTox DTXSID40167045

Structure

InChI Key PNCPYILNMDWPEY-QGZVFWFLSA-N
Smiles C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F
InChI
InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H32F3N3O4
Molecular Weight 495.54
AlogP 3.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 97.05
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Alpha-1a adrenergic receptor antagonist ANTAGONIST DailyMed
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
- 0.8-541.4 - 0.036-19.95 100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.8-541.4 - 0.036 100
Rattus norvegicus
- 0.8-90.1 - - -

Target Conservation

Protein: Alpha-1a adrenergic receptor
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907

Cross References

Resources Reference
ChEBI 135929
ChEMBL CHEMBL24778
DrugBank DB06207
DrugCentral 4151
FDA SRS CUZ39LUY82
Guide to Pharmacology 493
KEGG D01965
PubChem 5312125
SureChEMBL SCHEMBL136973
ZINC ZINC000003806063
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