CEDIRANIB


Synonyms	AZD-2171 AZD2171 Azd-2171 Cediranib Recentin ZD-2171
Status
Molecule Category	Free-form
ATC	L01EK02
UNII	NQU9IPY4K9
EPA CompTox	DTXSID10183035

Structure


InChI Key	XXJWYDDUDKYVKI-UHFFFAOYSA-N
Smiles	COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
InChI	InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H27FN4O3
Molecular Weight	450.51
AlogP	5.22
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	72.5
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	33.0

Pharmacology

Mechanism of Action	Action	Reference
Platelet-derived growth factor receptor inhibitor	INHIBITOR	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase unique family	-	-	540	-	-
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NKF4 family	-	-	5.4	-	-
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family	-	-	250	-	-
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily	-	-	100-920	-	-
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily	-	-	540-810	-	-
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily	-	-	22-23	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family	-	-	20-730	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family	-	-	490-830	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family	-	-	1.7-48	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family	-	-	84-860	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family	-	-	36-620	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family	-	-	23-860	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family	-	-	370-580	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family	-	5-36	0.27-820	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family	-	-	6.1-7.5	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family	-	-	67-720	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family	-	-	140-290	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family	-	0.5-5	0.74-4.3	-	-
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family	-	-	98	-	-
Enzyme	-	0.5-5	20-730	-	-
Membrane receptor	-	-	220	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.5-36	-	-	74

Target Conservation


Protein: Platelet-derived growth factor receptor Description: Platelet-derived growth factor receptor beta Organism : Homo sapiens P09619 ENSG00000113721











Protein: Stem cell growth factor receptor Description: Mast/stem cell growth factor receptor Kit Organism : Homo sapiens P10721 ENSG00000157404












Protein: Platelet-derived growth factor receptor Description: Platelet-derived growth factor receptor alpha Organism : Homo sapiens P16234 ENSG00000134853












Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 1 Organism : Homo sapiens P17948 ENSG00000102755











Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 3 Organism : Homo sapiens P35916 ENSG00000037280











Protein: Vascular endothelial growth factor receptor Description: Vascular endothelial growth factor receptor 2 Organism : Homo sapiens P35968 ENSG00000128052

Cross References

Resources	Reference
ChEBI	94782
ChEMBL	CHEMBL491473
DrugBank	DB04849
FDA SRS	NQU9IPY4K9
Guide to Pharmacology	5664
PubChem	9933475
SureChEMBL	SCHEMBL63147
ZINC	ZINC000003948085

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