LUCITANIB


Synonyms	AL-3810 Al-3810 CO-3810 E-3810 Lucitanib S 80881 S-80881
Status
Molecule Category	UNKNOWN
UNII	PP449XA4BH
EPA CompTox	DTXSID30147356


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	CUDVHEFYRIWYQD-UHFFFAOYSA-N
Smiles	CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
InChI	InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H25N3O4
Molecular Weight	443.5
AlogP	4.42
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	95.7
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	33.0

Bioactivity

Mechanism of Action	Action	Reference
Fibroblast growth factor receptor 1 inhibitor	INHIBITOR	PubMed PubMed Other


Protein: Fibroblast growth factor receptor 1 Description: Fibroblast growth factor receptor 1 Organism : Homo sapiens P11362 ENSG00000077782











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











Protein: Fibroblast growth factor receptor 2 Description: Fibroblast growth factor receptor 2 Organism : Homo sapiens P21802 ENSG00000066468











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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family	-	18-18	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family	-	25-25	-	-	-

Assay Description	Organism	Bioactivity
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	14.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	94.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	278.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	5.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.	Homo sapiens	199.0 nM
Inhibition of FGFR2 (unknown origin)	Homo sapiens	82.5 nM
Inhibition of VEGFR1 (unknown origin)	Homo sapiens	7.0 nM
Inhibition of VEGFR2 (unknown origin)	Homo sapiens	25.0 nM
Inhibition of VEGFR3 (unknown origin)	Homo sapiens	10.0 nM
Inhibition of FGFR1 (unknown origin)	Homo sapiens	17.5 nM
Inhibition of VEGFR1 (unknown origin)	Homo sapiens	7.0 nM
Inhibition of VEGFR2 (unknown origin)	Homo sapiens	25.0 nM
Inhibition of FGFR1 (unknown origin)	Homo sapiens	17.5 nM
Inhibition of FGFR2 (unknown origin)	Homo sapiens	82.5 nM
Inhibition of FGFR3 (unknown origin)	Homo sapiens	237.5 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging	Homo sapiens	1.31 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	22.92 %	SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	16.23 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	1.55 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.19 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	0.19 %	Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	1.55 %
Inhibition of VEGFR2 (unknown origin)	Homo sapiens	25.0 nM
Inhibition of VEGFR3 (unknown origin)	Homo sapiens	10.0 nM
Inhibition of FGFR1 (unknown origin)	Homo sapiens	17.5 nM
Inhibition of VEGFR1 (unknown origin)	Homo sapiens	7.0 nM
Inhibition of FGFR2 (unknown origin)	Homo sapiens	82.5 nM

Cross References

Resources	Reference
ChEBI	65209
ChEMBL	CHEMBL2220486
DrugBank	DB11845
FDA SRS	PP449XA4BH
Guide to Pharmacology	7649
PDB	3ZC
PharmGKB	PA166131607
PubChem	25031915
SureChEMBL	SCHEMBL381394
ZINC	ZINC000077024213

CONTENTS