AZD-9164

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Synonyms
Status
Molecule Category Free-form
UNII 977LWC4O5D

Structure

InChI Key FNYFFCOCVNTJCD-NNMXADRKSA-N
Smiles C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc(F)cc3)CCC1CC2)(c1ccccc1)N1CCCCC1
InChI
InChI=1S/C29H38FN2O2/c1-29(25-8-4-2-5-9-25,31-17-6-3-7-18-31)28(33)34-27-22-32(20-15-24(27)16-21-32)19-14-23-10-12-26(30)13-11-23/h2,4-5,8-13,24,27H,3,6-7,14-22H2,1H3/q+1/t24?,27-,29-,32?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H38FN2O2+
Molecular Weight 465.63
AlogP 4.92
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

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 Acetylcholine receptor
- 0.1585 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - 0.05012 - 50
Homo sapiens
- 0.1585 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1921904
DrugBank DB12115
FDA SRS 977LWC4O5D
PubChem 44517831
SureChEMBL SCHEMBL524071
ZINC ZINC000043196332
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