AZD-4877

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Synonyms
Status
Molecule Category Free-form
UNII 19ORU63E06

Structure

InChI Key SMFXSYMLJDHGIE-UHFFFAOYSA-N
Smiles Cc1ccc(C(=O)N(CCCN)C(c2nc3snc(C)c3c(=O)n2Cc2ccccc2)C(C)C)cc1
InChI
InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H33N5O2S
Molecular Weight 503.67
AlogP 4.71
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 94.11
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Kinesin-like protein 1 inhibitor INHIBITOR PubMed ClinicalTrials PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - - - 35
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - - - 35
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - - 42
Enzyme Oxidoreductase
- - - - 71
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Somatostatin receptor
- - - - 80
Other cytosolic protein
- 2-429 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 76-99
Homo sapiens
- 2-429 - - 71-80

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1829433
DrugBank DB11671
FDA SRS 19ORU63E06
Guide to Pharmacology 7708
PubChem 10368812
SureChEMBL SCHEMBL360703
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