BEVENOPRAN

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Synonyms
Status
Molecule Category Free-form
UNII IC58Q2EHPJ
EPA CompTox DTXSID90217963

Structure

InChI Key ZGCYVRNZWGUXNQ-UHFFFAOYSA-N
Smiles COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(C(N)=O)cn1
InChI
InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N4O4
Molecular Weight 386.45
AlogP 2.28
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 108.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Mu opioid receptor antagonist ANTAGONIST Other

Target Conservation

Protein: Mu opioid receptor
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038

Cross References

Resources Reference
ChEMBL CHEMBL3039511
DrugBank DB12464
FDA SRS IC58Q2EHPJ
SureChEMBL SCHEMBL1462219
ZINC ZINC000038896576
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