Compound Detail

CHEMBL4790915

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COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3F)c2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4790915
Phase	Preclinical
Structure Type	MOL
InChI Key	UMVARAZJYYZKEH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

480.5

MW (Da)

6.11

ALogP

HBA

HBD

107.7

PSA (Å²)

0.34

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 10.14

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	10.14	8.9433	0.1	3
BaF3 CHEMBL614524	IC50	5.92	5.92	1212.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	IC50	=	0.072	nM	10.14	Inhibition of FLT3 ITD mutant (unknown origin) expressed in mouse BaF3 cells	32891702
Receptor-type tyrosine-protein kinase FLT3	IC50	=	3.48	nM	8.46	Inhibition of FLT3 ITD/D835Y double mutant (unknown origin) expressed in mouse B...	32891702
Receptor-type tyrosine-protein kinase FLT3	IC50	=	5.86	nM	8.23	Inhibition of FLT3 ITD/F691L double mutant (unknown origin) expressed in mouse B...	32891702
BaF3	IC50	=	1212.4	nM	5.92	Cytotoxicity against mouse BaF3 cells assessed as reduction in cell viability	32891702

PubMed	DOI	Target Context	# Activities
32891702	10.1016/j.bmcl.2020.127532	Receptor-type tyrosine-protein kinase FLT3	3
32891702	10.1016/j.bmcl.2020.127532	Unchecked	2
32891702	10.1016/j.bmcl.2020.127532	BaF3	1

Data from ChEMBL 36 via Core Engine