PICOTAMIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: B01AC03
UNII: 654G2VCI4Q

Structure
InChI Key KYWCWBXGRWWINE-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Thromboxane A2 receptor inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 8.152
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -1.58-11.52
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 441000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 93175
ChEMBL CHEMBL1257015
DrugBank DB13327
DrugCentral 2161
EPA CompTox DTXSID40186498
FDA SRS 654G2VCI4Q
PubChem 4814
SureChEMBL SCHEMBL137025
ZINC ZINC000000538174
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