AZD-4769

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Synonyms
Status
Molecule Category Free-form
UNII XF2ACV4KGZ
EPA CompTox DTXSID70925897

Structure

InChI Key JOIXGLLMSDPZDN-UHFFFAOYSA-N
Smiles O=C(O)CSC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChI
InChI=1S/C28H27NO3S/c30-28(31)20-33-27(12-6-9-21-7-2-1-3-8-21)23-14-17-25(18-15-23)32-19-24-16-13-22-10-4-5-11-26(22)29-24/h1-5,7-8,10-11,13-18,27H,6,9,12,19-20H2,(H,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H27NO3S
Molecular Weight 457.6
AlogP 6.7
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 59.42
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR Other
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3 - - -

Target Conservation

Protein: Epidermal growth factor receptor erbB1
Description: Epidermal growth factor receptor
Organism : Homo sapiens
P00533 ENSG00000146648

Cross References

Resources Reference
CAS NUMBER 127481-29-2
ChEMBL CHEMBL422872
FDA SRS XF2ACV4KGZ
SureChEMBL SCHEMBL9460146
CONTENTS