Compound Detail

CHEMBL3290618

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CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3scc(-c4cccs4)c23)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3290618
Phase	Preclinical
Structure Type	MOL
InChI Key	VHFRQHKFRYOSFN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

424.5

MW (Da)

4.79

ALogP

HBA

HBD

75.2

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	7.16	7.16	69.0	1
RAW264.7 CHEMBL612557	IC50	6.15	5.905	710.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Receptor-type tyrosine-protein kinase FLT3	IC50	=	69.0	nM	7.16	Inhibition of human FLT3 using 10 uM ATP	25108079
RAW264.7	IC50	=	710.0	nM	6.15	Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of ...	24813730
RAW264.7	IC50	=	2190.0	nM	5.66	Antiinflammatory activity against mouse RAW264.7 cells assessed as reduction of ...	24813730

PubMed	DOI	Target Context	# Activities
25108079	10.1016/j.ejmech.2014.08.001	NON-PROTEIN TARGET	3
24813730	10.1016/j.bmcl.2014.04.058	Inhibitor of nuclear factor kappa-B kinase subunit beta	2
24813730	10.1016/j.bmcl.2014.04.058	RAW264.7	2
25108079	10.1016/j.ejmech.2014.08.001	K562	1
25108079	10.1016/j.ejmech.2014.08.001	Receptor-type tyrosine-protein kinase FLT3	1
25108079	10.1016/j.ejmech.2014.08.001	No relevant target	1

Data from ChEMBL 36 via Core Engine