PERICIAZINE

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Synonyms
Status
Molecule Category Free-form
ATC N05AC01
UNII 3405M6FD73
EPA CompTox DTXSID5045910

Structure

InChI Key LUALIOATIOESLM-UHFFFAOYSA-N
Smiles N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2
InChI
InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N3OS
Molecular Weight 365.5
AlogP 4.01
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 50.5
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 230 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 117.13-132.46
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 117.13-132.46
Equus caballus
- 230 - - -

Related Entries

Cross References

Resources Reference
ChEBI 31981
ChEMBL CHEMBL251940
DrugBank DB01608
DrugCentral 2107
FDA SRS 3405M6FD73
Human Metabolome Database HMDB0015546
Guide to Pharmacology 9216
PharmGKB PA164781043
PubChem 4747
SureChEMBL SCHEMBL148422
ZINC ZINC000000538159
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