Compound Detail

CHEMBL573761

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COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3F)c2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL573761
Phase	Preclinical
Structure Type	MOL
InChI Key	MCTIWUDXKBCHRY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

502.5

MW (Da)

5.66

ALogP

HBA

HBD

93.2

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 8.7

Ki 1 meas. best 8.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	Ki	8.77	8.77	1.7	1
HUVEC CHEMBL613979	IC50	8.7	8.4	2.0	2
MKN-45 CHEMBL614354	IC50	8.1	8.1	8.0	1
Unchecked CHEMBL612545	IC50	8.0	8.0	10.0	1
Hepatocyte growth factor receptor CHEMBL3717	IC50	7.52	7.21	30.0	5
HCT-116 CHEMBL394	IC50	6.52	6.52	300.0	1

Parameter	Value	Units	Species
F	22.0	%	Rattus norvegicus
T1/2	4.4	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte growth factor receptor	Ki	=	1.7	nM	8.77	Inhibition of recombinant c-met-mediated gastrin phosphorylation by HTRF assay	22320343
HUVEC	IC50	=	2.0	nM	8.7	Inhibition of VEGF-stimulated proliferation of HUVEC cells	19854051
HUVEC	IC50	=	8.0	nM	8.1	Antiangiogenic activity against HUVEC cell assessed as inhibition of tubule form...	19854051
MKN-45	IC50	=	8.0	nM	8.1	Antiproliferative activity against human MKN45 cells after 72 hrs by MTT assay	19854051
Unchecked	IC50	=	10.0	nM	8.0	Inhibition of GST-tagged VEGFR expressed in Sf9 cells	19854051
Hepatocyte growth factor receptor	IC50	=	30.0	nM	7.52	Inhibition of GST-tagged c-Met expressed in Sf9 cells	19854051
Hepatocyte growth factor receptor	IC50	=	53.0	nM	7.28	Inhibition of HGF-mediated c-met autophosphorylation in serum-starved human PC3 ...	22320343
Hepatocyte growth factor receptor	IC50	=	80.0	nM	7.1	Inhibition of c-Met in human A549 cells by wound healing assay	19854051
Hepatocyte growth factor receptor	IC50	=	80.0	nM	7.1	Inhibition of c-Met in human DU145 cells assessed as cell scattering	19854051
Hepatocyte growth factor receptor	IC50	=	90.0	nM	7.05	Inhibition of TPR-Met assessed as autophosphorylation	19854051
HCT-116	IC50	=	300.0	nM	6.52	Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay	19854051

PubMed	DOI	Target Context	# Activities
19854051	10.1016/j.bmcl.2009.10.040	Hepatocyte growth factor receptor	5
19854051	10.1016/j.bmcl.2009.10.040	HUVEC	3
22320343	10.1021/jm201330u	Hepatocyte growth factor receptor	2
19854051	10.1016/j.bmcl.2009.10.040	Rattus norvegicus	2
19854051	10.1016/j.bmcl.2009.10.040	Unchecked	2
19854051	10.1016/j.bmcl.2009.10.040	MKN-45	1
19854051	10.1016/j.bmcl.2009.10.040	Proto-oncogene tyrosine-protein kinase Src	1
19854051	10.1016/j.bmcl.2009.10.040	Platelet-derived growth factor receptor beta	1
19854051	10.1016/j.bmcl.2009.10.040	Tyrosine-protein kinase JAK3	1
19854051	10.1016/j.bmcl.2009.10.040	Tyrosine-protein kinase JAK2	1
19854051	10.1016/j.bmcl.2009.10.040	Serine/threonine-protein kinase Chk2	1
19854051	10.1016/j.bmcl.2009.10.040	HCT-116	1
19854051	10.1016/j.bmcl.2009.10.040	ALK tyrosine kinase receptor	1
19854051	10.1016/j.bmcl.2009.10.040	RAC-alpha serine/threonine-protein kinase	1
19854051	10.1016/j.bmcl.2009.10.040	Dual specificity mitogen-activated protein kinase kinase 1	1
19854051	10.1016/j.bmcl.2009.10.040	Inhibitor of nuclear factor kappa-B kinase subunit beta	1
19854051	10.1016/j.bmcl.2009.10.040	Glycogen synthase kinase-3 beta	1
19854051	10.1016/j.bmcl.2009.10.040	Epidermal growth factor receptor	1
19854051	10.1016/j.bmcl.2009.10.040	Serine/threonine-protein kinase Chk1	1
19854051	10.1016/j.bmcl.2009.10.040	Cyclin-dependent kinase 2/cyclin E	1

Data from ChEMBL 36 via Core Engine