PRAZOSIN

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Synonyms
Status
Molecule Category Free-form
ATC C02CA01
UNII XM03YJ541D
EPA CompTox DTXSID4049082

Structure

InChI Key IENZQIKPVFGBNW-UHFFFAOYSA-N
Smiles COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC
InChI
InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21N5O4
Molecular Weight 383.41
AlogP 1.78
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 106.95
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 13
Enzyme Oxidoreductase
- 7.8 - - 14
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 58.6
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 0.1622-140 0.01023-724.44 0.04-645.65 -1-11
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 0.33 -
Secreted protein
- - - 0.3631 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 1-36.1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 55.6-55.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 74
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 0.17 -
Cavia porcellus
- - - - 58.6
Cricetinae
- 7.8 - - -
Cricetulus griseus
- - - 0.4571 -
Homo sapiens
- 0.17-0.88 - 0.04-365 -1-74
Oryctolagus cuniculus
- - 0.3802-10 - -
Rattus norvegicus
- 0.1622-0.8511 0.1698-10 0.1-0.79 5-11
hamster
- - - 0.32 -
mesocricetus auratus (golden hamster)
- - - 0.83 -
opossum
- - - 36 -

Cross References

Resources Reference
ChEBI 8364
ChEMBL CHEMBL2
DrugBank DB00457
DrugCentral 4209
FDA SRS XM03YJ541D
Human Metabolome Database HMDB0014600
Guide to Pharmacology 503
KEGG C07368
PDB XRA
PharmGKB PA451093
PubChem 4893
SureChEMBL SCHEMBL26524
ZINC ZINC000095616601
CONTENTS