Compound Detail

CHEMBL253969

OSI-632

🧪 Phase II

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🧪 Phase II

NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL253969
Name	OSI-632
Phase	Phase II
Structure Type	MOL
InChI Key	HXHAJRMTJXHJJZ-UHFFFAOYSA-N

Known Names

Cp-547,632 CP-547632 CP-632 Osi-632 PAN 90806 PAN-90806 PAN90806

Targets

104

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

532.4

MW (Da)

3.86

ALogP

HBA

HBD

109.6

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C20H24BrF2N5O3S
MW	532.41
Aromatic Rings	2
Heavy Atoms	32
NP-Likeness	-1.80

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Vascular endothelial growth factor receptor 2 inhibitor	INHIBITOR	Vascular endothelial growth factor receptor 2	✓	✓

Indications

Fallopian Tube Neoplasms Ovarian Neoplasms Peritoneal Neoplasms Diabetic Retinopathy Lung Neoplasms Macular Degeneration

Activity Summary

Ki 41 meas. best 8.6

Kd 35 meas. best 8.4

IC50 28 meas. best 8.9

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.9	8.204	1.3	5
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	8.6	8.6	2.5	1
Fibroblast growth factor receptor 2 CHEMBL4142	IC50	8.51	8.285	3.1	2
Activin receptor type-1B CHEMBL5310	Kd	8.4	8.4	4.0	1
TGF-beta receptor type-1 CHEMBL4439	Kd	8.3	8.3	5.0	1
Vascular endothelial growth factor A, long form CHEMBL1783	IC50	8.28	8.28	5.3	1
Fibroblast growth factor receptor 3 CHEMBL2742	Ki	8.1	8.1	7.9	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	8.07	8.07	8.5	1
Unchecked CHEMBL612545	IC50	8.05	8.05	9.0	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	8.0	8.0	10.0	1
Angiopoietin-1 receptor CHEMBL4128	IC50	8.0	7.32	10.1	3
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	7.96	7.96	11.1	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	7.8	7.8	15.8	1
Discoidin domain-containing receptor 2 CHEMBL5122	IC50	7.62	6.985	24.0	2
Tyrosine-protein kinase FRK CHEMBL4223	Ki	7.6	7.6	25.1	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	7.6	7.6	25.1	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	7.5	7.5	31.6	1
Fibroblast growth factor receptor 3 CHEMBL2742	IC50	7.47	7.47	33.9	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	7.27	7.27	54.2	1
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	Kd	7.17	7.17	67.0	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	7.1	7.1	79.4	1
Tyrosine-protein kinase Lyn CHEMBL3905	Ki	7.0	7.0	100.0	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	7.0	7.0	100.0	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	7.0	7.0	100.0	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	6.91	6.91	122.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	Ki	6.9	6.9	125.9	1
Mitogen-activated protein kinase kinase kinase 1 CHEMBL3956	Kd	6.87	6.87	135.0	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.8	6.8	158.5	1
Tyrosine-protein kinase Fyn CHEMBL1841	IC50	6.79	6.79	161.0	1
Leukocyte tyrosine kinase receptor CHEMBL5627	Ki	6.7	6.7	199.5	1
Aurora kinase B CHEMBL2185	IC50	6.68	6.68	207.0	1
Ephrin type-B receptor 6 CHEMBL5836	Kd	6.65	6.65	226.0	1
Misshapen-like kinase 1 CHEMBL5518	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	6.6	6.6	251.2	1
Aurora kinase B CHEMBL2185	Ki	6.6	6.6	251.2	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	6.6	6.6	251.2	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Kd	6.57	6.57	268.0	1
AarF domain-containing protein kinase 1 CHEMBL4105885	Kd	6.55	6.55	281.0	1
Protein-tyrosine kinase 6 CHEMBL4601	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	6.5	6.5	316.2	1
Mitogen-activated protein kinase 14 CHEMBL260	Ki	6.5	6.5	316.2	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Kd	6.47	6.47	341.0	1
Activin receptor type-1 CHEMBL5903	Ki	6.4	6.4	398.1	1
Platelet-derived growth factor receptor alpha CHEMBL2007	Ki	6.4	6.4	398.1	1
Fibroblast growth factor receptor 1 CHEMBL3650	Kd	6.4	6.4	396.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	Ki	6.4	6.4	398.1	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	6.38	6.38	419.0	1
Discoidin domain-containing receptor 2 CHEMBL5122	Kd	6.38	6.275	422.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	1.27	nM	8.9	In Vitro Inhibition Assay: In Vitro Inhibition of Tyrosine Kinases using a 10-po...	-
Vascular endothelial growth factor receptor 2	Ki	=	2.512	nM	8.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 2	IC50	=	3.08	nM	8.51	In Vitro Inhibition Assay: In Vitro Inhibition of Tyrosine Kinases using a 10-po...	-
Activin receptor type-1B	Kd	=	4.0	nM	8.4	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
TGF-beta receptor type-1	Kd	=	5.0	nM	8.3	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ...	29191878
Vascular endothelial growth factor A, long form	IC50	=	5.27	nM	8.28	Inhibition Assay: Inhibition of VEGF-stimulated VEGFR-2 autophosphorylation in i...	-
Vascular endothelial growth factor receptor 2	IC50	=	6.0	nM	8.22	Inhibition of VEGFR2 by cell based assay	23098265
Fibroblast growth factor receptor 3	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 1	IC50	=	8.5	nM	8.07	In Vitro Inhibition Assay: In Vitro Inhibition of Tyrosine Kinases using a 10-po...	-
Fibroblast growth factor receptor 2	IC50	=	8.79	nM	8.06	Inhibition Assay: Inhibition of recombinant FGFR-2 tyrosine kinase using exogeno...	-
Unchecked	IC50	=	9.0	nM	8.05	Inhibition of FGFRbeta	23098265
STE20-like serine/threonine-protein kinase	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Angiopoietin-1 receptor	IC50	=	10.1	nM	8.0	In Vitro Inhibition Assay: In Vitro Inhibition of Tyrosine Kinases using a 10-po...	-
Vascular endothelial growth factor receptor 2	IC50	=	10.55	nM	7.98	Inhibition Assay: Inhibition of recombinant VEGFR-2 tyrosine kinase using exogen...	-
Vascular endothelial growth factor receptor 2	IC50	=	11.0	nM	7.96	Inhibition of VEGFR2	23098265
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	11.1	nM	7.96	In Vitro Inhibition Assay: In Vitro Inhibition of Tyrosine Kinases using a 10-po...	-
Vascular endothelial growth factor receptor 2	IC50	=	11.0	nM	7.96	Inhibition of human recombinant VEGFR2 by HTRF assay	18308565
Fibroblast growth factor receptor 1	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Angiopoietin-1 receptor	IC50	=	18.0	nM	7.75	Inhibition of human recombinant TIE2 by HTRF assay	18308565
Discoidin domain-containing receptor 2	IC50	=	24.0	nM	7.62	Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before su...	24754677

Literature References

PubMed	DOI	Target Context	# Activities
29191878	10.1126/science.aan4368	Unchecked	5
24754677	10.1021/jm500167q	Discoidin domain-containing receptor 2	3
23098265	10.1021/jm301085w	Vascular endothelial growth factor receptor 2	2
-	10.6019/CHEMBL3301361	No relevant target	2
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL2	1
29191878	10.1126/science.aan4368	Mitogen-activated protein kinase kinase kinase 20	1
29191878	10.1126/science.aan4368	Actin-related protein 3	1
29191878	10.1126/science.aan4368	Actin-related protein 2	1
29191878	10.1126/science.aan4368	Long-chain-fatty-acid--CoA ligase 5	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 3	1
29191878	10.1126/science.aan4368	Peroxisomal acyl-coenzyme A oxidase 1	1
29191878	10.1126/science.aan4368	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 11	1
29191878	10.1126/science.aan4368	Acyl-CoA dehydrogenase family member 10	1
18308565	10.1016/j.bmcl.2008.02.001	Angiopoietin-1 receptor	1
29191878	10.1126/science.aan4368	Tyrosine-protein kinase ABL1	1
29191878	10.1126/science.aan4368	AP2-associated protein kinase 1	1
23098265	10.1021/jm301085w	Unchecked	1
23098265	10.1021/jm301085w	Mus musculus	1
18676144	10.1016/j.bmcl.2008.06.106	Angiopoietin-1 receptor	1

Data from ChEMBL 36 via Core Engine