AZD-7268

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Synonyms
Status
Molecule Category Free-form
UNII 958Y70F3HQ

Structure

InChI Key ZJKUETLEJYCOBO-UHFFFAOYSA-N
Smiles CN(CCO)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1
InChI
InChI=1S/C29H30N4O2S/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25/h2-10,13,19-20,34H,11-12,14-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H30N4O2S
Molecular Weight 498.65
AlogP 4.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 69.56
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 0.28-460 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1946618
FDA SRS 958Y70F3HQ
Guide to Pharmacology 7824
SureChEMBL SCHEMBL474151
ZINC ZINC000082154706
CONTENTS