Structure

InChI Key KSEYRUGYKHXGFW-UHFFFAOYSA-N
Smiles C=CCN1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC
InChI
InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21N5O2
Molecular Weight 315.38
AlogP 1.35
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 83.14
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor antagonist ANTAGONIST PubMed

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Cross References

Resources Reference
ChEBI 94316
ChEMBL CHEMBL290194
DrugBank DB01425
DrugCentral 120
FDA SRS P55703ZRZY
Human Metabolome Database HMDB0015494
Guide to Pharmacology 11141
PharmGKB PA164744894
PubChem 43008
SureChEMBL SCHEMBL48936