Compound Detail

CHEMBL5202826

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Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5202826
Phase	Preclinical
Structure Type	MOL
InChI Key	KBWZVVPCJMAFMN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

347.4

MW (Da)

2.58

ALogP

HBA

HBD

120.0

PSA (Å²)

0.51

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 8.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984	IC50	8.1	7.495	8.0	2
Ephrin type-B receptor 3 CHEMBL4901	IC50	7.75	7.75	18.0	1
Wee1-like protein kinase CHEMBL5491	IC50	6.24	6.24	580.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	IC50	=	8.0	nM	8.1	Inhibition of N-terminal human recombinant PKMYT1 (76 to 362 residues) expressed...	35880755
Ephrin type-B receptor 3	IC50	=	18.0	nM	7.75	Inhibition of full length Nano-luc fused EPHB3 in human HEK-293T cells incubated...	35880755
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	IC50	=	130.0	nM	6.89	Inhibition of N-terminal recombinant PKMYT1 (76 to 362 residues) in CCNE1 amplif...	35880755
Wee1-like protein kinase	IC50	=	580.0	nM	6.24	Inhibition of WEE1 (unknown origin)	35880755

PubMed	DOI	Target Context	# Activities
35880755	10.1021/acs.jmedchem.2c00552	Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	2
35880755	10.1021/acs.jmedchem.2c00552	Wee1-like protein kinase	1
35880755	10.1021/acs.jmedchem.2c00552	Ephrin type-B receptor 3	1

Data from ChEMBL 36 via Core Engine