PICOTAMIDE

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Synonyms
Status
Molecule Category Free-form
ATC B01AC03
UNII 654G2VCI4Q
EPA CompTox DTXSID40186498

Structure

InChI Key KYWCWBXGRWWINE-UHFFFAOYSA-N
Smiles COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1
InChI
InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H20N4O3
Molecular Weight 376.42
AlogP 2.35
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 93.21
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Thromboxane A2 receptor inhibitor INHIBITOR PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Oryctolagus cuniculus
- 340-470 - - 37.08-49.17
Rattus norvegicus
- 760 - - -

Target Conservation

Protein: Thromboxane A2 receptor
Description: Thromboxane A2 receptor
Organism : Homo sapiens
P21731 ENSG00000006638
Protein: Thromboxane-A synthase
Description: Thromboxane-A synthase
Organism : Homo sapiens
P24557 ENSG00000059377

Cross References

Resources Reference
ChEBI 93175
ChEMBL CHEMBL1257015
DrugBank DB13327
DrugCentral 2161
FDA SRS 654G2VCI4Q
PubChem 4814
SureChEMBL SCHEMBL137025
ZINC ZINC000000538174
CONTENTS