Compound Detail

CHEMBL1762529

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COc1cc(CO)cc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1762529
Phase	Preclinical
Structure Type	MOL
InChI Key	LGYDLRSRBICQTP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

506.6

MW (Da)

3.16

ALogP

HBA

HBD

95.5

PSA (Å²)

0.47

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Ephrin type-B receptor 4 CHEMBL5147	IC50	8.7	8.425	2.0	2
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.72	6.72	190.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	6.35	6.35	447.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ephrin type-B receptor 4	IC50	=	2.0	nM	8.7	Inhibition of human EPHB4	21441027
Ephrin type-B receptor 4	IC50	=	7.0	nM	8.15	Inhibition of human EphB4 autophosphorylation expressed in CHOK1 cells	21441027
Vascular endothelial growth factor receptor 2	IC50	=	190.0	nM	6.72	Inhibition of VEGFR2	21441027
Fibroblast growth factor receptor 1	IC50	=	447.0	nM	6.35	Inhibition FGFR1	21441027

PubMed	DOI	Target Context	# Activities
21441027	10.1016/j.bmcl.2011.03.009	Ephrin type-B receptor 4	2
-	10.6019/CHEMBL3301361	No relevant target	2
21441027	10.1016/j.bmcl.2011.03.009	Vascular endothelial growth factor receptor 2	1
21441027	10.1016/j.bmcl.2011.03.009	Fibroblast growth factor receptor 1	1

Data from ChEMBL 36 via Core Engine