URAPIDIL

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Synonyms
Status
Molecule Category Free-form
ATC C02CA06
UNII A78GF17HJS
EPA CompTox DTXSID9021425

Structure

InChI Key ICMGLRUYEQNHPF-UHFFFAOYSA-N
Smiles COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
InChI
InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H29N5O3
Molecular Weight 387.48
AlogP 0.72
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 71.74
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

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 Adrenergic receptor
- - - 127.9 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 213 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 213 -
Oryctolagus cuniculus
- - 79.43 - -
Rattus norvegicus
- - - 127.9 -

Cross References

Resources Reference
ChEBI 32278
ChEMBL CHEMBL279229
DrugBank DB12661
DrugCentral 2796
FDA SRS A78GF17HJS
PubChem 5639
SureChEMBL SCHEMBL48992
ZINC ZINC000001544805
CONTENTS