AZD-8330

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Synonyms
Status
Molecule Category Free-form
UNII G4990BOZ66
EPA CompTox DTXSID50235986

Structure

InChI Key RWEVIPRMPFNTLO-UHFFFAOYSA-N
Smiles Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O
InChI
InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17FIN3O4
Molecular Weight 461.23
AlogP 1.83
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 92.59
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Dual specificity mitogen-activated protein kinase kinase 1 inhibitor INHIBITOR Other PubMed

Target Conservation

Protein: Dual specificity mitogen-activated protein kinase kinase 2
Description: Dual specificity mitogen-activated protein kinase kinase 2
Organism : Homo sapiens
P36507 ENSG00000126934
Protein: Dual specificity mitogen-activated protein kinase kinase 1
Description: Dual specificity mitogen-activated protein kinase kinase 1
Organism : Homo sapiens
Q02750 ENSG00000169032

Cross References

Resources Reference
ChEBI 91424
ChEMBL CHEMBL3182621
DrugBank DB06061
FDA SRS G4990BOZ66
Guide to Pharmacology 8474
PubChem 16666708
SureChEMBL SCHEMBL388533
ZINC ZINC000043152942
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