Compound Detail

CHEMBL5827799

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C/C=C/C(=O)OCc1cccc(Nc2nc(Nc3ccccc3)ncc2C)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5827799
Phase	Preclinical
Structure Type	MOL
InChI Key	QKZGEULCBCCZIK-FPYGCLRLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

374.4

MW (Da)

4.89

ALogP

HBA

HBD

76.1

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 7 meas. best 7.26

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase BTK CHEMBL5251	IC50	7.26	6.9267	55.0	3
Tyrosine-protein kinase JAK3 CHEMBL2148	IC50	6.26	6.26	550.0	2
Epidermal growth factor receptor CHEMBL203	IC50	5.98	5.62	1050.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase BTK	IC50	=	55.0	nM	7.26	Omnia Assay Protocol : Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen a...	-
Tyrosine-protein kinase BTK	IC50	=	55.0	nM	7.26	Omnia Assay Protocol for Potency Assessment Against BTK: Briefly, 10× stocks of ...	-
Tyrosine-protein kinase JAK3	IC50	=	550.0	nM	6.26	Omnia Assay: JAK3: The Omnia Assay Protocol for potency assessment against JAK3 ...	-
Tyrosine-protein kinase JAK3	IC50	=	550.0	nM	6.26	Omnia Assay Protocol : Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen a...	-
Tyrosine-protein kinase BTK	IC50	=	550.0	nM	6.26	Omnia Assay: Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T7...	-
Epidermal growth factor receptor	IC50	=	1050.0	nM	5.98	Omnia Assay: Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T7...	-
Epidermal growth factor receptor	IC50	=	5500.0	nM	5.26	Omnia Assay: EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for pote...	-

Data from ChEMBL 36 via Core Engine