TAMSULOSIN

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Synonyms
Status
Molecule Category Free-form
ATC G04CA02
UNII G3P28OML5I
EPA CompTox DTXSID3023631

Structure

InChI Key DRHKJLXJIQTDTD-OAHLLOKOSA-N
Smiles CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChI
InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28N2O5S
Molecular Weight 408.52
AlogP 2.34
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 99.88
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- - - - 20-22
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
0.07-0.13 0.15-4.8 0.02512-6.31 0.029-100 41-100
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 0.28-78 21-109
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 7-18
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 0.79-944 62-115
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - 0.2884-1.349 - -
Cavia porcellus
- - - - 7-18
Cricetulus griseus
- - - 0.2 -
Homo sapiens
0.07-0.13 0.15-4.8 - 0.0001-2 100
Mus musculus
- 1.8 - - -
Oryctolagus cuniculus
- - 0.1585 - -
Rattus norvegicus
- - 0.2042-0.3388 0.13 11-64

Cross References

Resources Reference
ChEBI 9398
ChEMBL CHEMBL836
DrugBank DB00706
DrugCentral 2562
FDA SRS G3P28OML5I
Human Metabolome Database HMDB0014844
Guide to Pharmacology 488
KEGG C07124
PharmGKB PA451583
PubChem 129211
SureChEMBL SCHEMBL34378
ZINC ZINC000001530694
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