LATREPIRDINE

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Synonyms
Status
Molecule Category Free-form
UNII OD9237K1Z6
EPA CompTox DTXSID20189705

Structure

InChI Key JNODQFNWMXFMEV-UHFFFAOYSA-N
Smiles Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1
InChI
InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N3
Molecular Weight 319.45
AlogP 3.88
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 21.06
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

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 Adrenergic receptor
- - - 60.26-109.65 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 630.96 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 158-160 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 890-890 - 7.943-119 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 158-890 - 7.943-630.96 -
Rattus norvegicus
- - - 119 -

Related Entries

Cross References

Resources Reference
ChEBI 92976
ChEMBL CHEMBL589390
DrugBank DB11725
FDA SRS OD9237K1Z6
Human Metabolome Database HMDB0240240
PubChem 197033
SureChEMBL SCHEMBL292354
ZINC ZINC000008144259
CONTENTS