Synonyms
Status
Molecule Category Free-form
UNII W0UTB622GK

Structure

InChI Key WIEDUMBCZQRGSY-UHFFFAOYSA-N
Smiles Fc1cc(-c2cccc(-c3nc[nH]n3)c2)cc(F)c1CNC1Cc2ccccc2C1
InChI
InChI=1S/C24H20F2N4/c25-22-11-19(15-6-3-7-18(8-15)24-28-14-29-30-24)12-23(26)21(22)13-27-20-9-16-4-1-2-5-17(16)10-20/h1-8,11-12,14,20,27H,9-10,13H2,(H,28,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H20F2N4
Molecular Weight 402.45
AlogP 4.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 53.6
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor antagonist ANTAGONIST PubMed PubMed

Target Conservation

Protein: Mu opioid receptor

Description: Mu-type opioid receptor

Organism : Homo sapiens

P35372 ENSG00000112038

Cross References

Resources Reference
ChEMBL CHEMBL4297383
DrugBank DB12886
FDA SRS W0UTB622GK
Guide to Pharmacology 9287
PubChem 24737629
SureChEMBL SCHEMBL1785572