AT-9283


Synonyms	AT9283 At 9283 At-9283
Status
Molecule Category	Free-form
UNII	XAV9KYN9WL

Structure


InChI Key	LOLPPWBBNUVNQZ-UHFFFAOYSA-N
Smiles	O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1
InChI	InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H23N7O2
Molecular Weight	381.44
AlogP	2.07
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	110.96
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Pharmacology

Mechanism of Action	Action	Reference
Serine/threonine-protein kinase Aurora-A inhibitor	INHIBITOR	PubMed 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 MSK subfamily	-	10	-	-	-
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily	-	1-1	-	-	-
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PDHK subfamily	-	10	-	-	-
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MELK subfamily	-	685	-	-	-
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family	-	10	-	-	-
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family	-	10	-	-	-
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily	-	10	-	-	-
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily	-	1-1	-	-	-
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk2 subfamily	-	570	-	-	-
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family	-	1	-	-	-
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family	-	2.7-62	-	-	52-58
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family	-	4-10	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family	-	1	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family	-	1-10	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family	-	1-2.2	11	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family	-	1-2.2	11	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family	-	10-10	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family	-	1	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family	-	1-10	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family	-	1-10	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	1.2-748	11	-	-

Target Conservation


Protein: Serine/threonine-protein kinase Aurora-A Description: Aurora kinase A Organism : Homo sapiens O14965 ENSG00000087586













Protein: Tyrosine-protein kinase JAK2 Description: Tyrosine-protein kinase JAK2 Organism : Homo sapiens O60674 ENSG00000096968











Protein: Tyrosine-protein kinase ABL Description: Tyrosine-protein kinase ABL1 Organism : Homo sapiens P00519 ENSG00000097007












Protein: Tyrosine-protein kinase receptor FLT3 Description: Receptor-type tyrosine-protein kinase FLT3 Organism : Homo sapiens P36888 ENSG00000122025











Protein: Serine/threonine-protein kinase Aurora-B Description: Aurora kinase B Organism : Homo sapiens Q96GD4 ENSG00000178999

Cross References

Resources	Reference
ChEMBL	CHEMBL495727
FDA SRS	XAV9KYN9WL
PDB	35R
PubChem	135398495
SureChEMBL	SCHEMBL545809
ZINC	ZINC000038995988

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