MOLINDONE

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Synonyms
Status
Molecule Category Free-form
ATC N05AE02
UNII RT3Y3QMF8N
EPA CompTox DTXSID9023332

Structure

InChI Key KLPWJLBORRMFGK-UHFFFAOYSA-N
Smiles CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
InChI
InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24N2O2
Molecular Weight 276.38
AlogP 1.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 45.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

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 Dopamine receptor
- - - 33.11-33.11 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 265 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 265 -
Rattus norvegicus
- - 660.69 - -

Cross References

Resources Reference
ChEBI 6965
ChEMBL CHEMBL460
DrugBank DB01618
DrugCentral 1830
FDA SRS RT3Y3QMF8N
Human Metabolome Database HMDB0015555
Guide to Pharmacology 207
KEGG C07230
PharmGKB PA164746756
PubChem 23897
SureChEMBL SCHEMBL149233
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