AZD-8330

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G4990BOZ66

Structure
InChI Key RWEVIPRMPFNTLO-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Dual specificity mitogen-activated protein kinase kinase 1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PEK family Other protein kinase HRI
- - 1821 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- 7 15 - -
Enzyme Transferase
- - - - 9.899
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 1.05-7.79

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 91424
ChEMBL CHEMBL3182621
DrugBank DB06061
EPA CompTox DTXSID50235986
FDA SRS G4990BOZ66
Guide to Pharmacology 8474
PubChem 16666708
SureChEMBL SCHEMBL388533
ZINC ZINC000043152942
CONTENTS