Compound Detail

CHEMBL4780257

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C)n4)n3)cc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4780257
Phase	Preclinical
Structure Type	MOL
InChI Key	PQUGAIQHFVZMFG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

447.5

MW (Da)

1.14

ALogP

HBA

HBD

126.0

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 10.22

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase SYK CHEMBL2599	IC50	10.22	10.22	0.1	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	4.92	4.92	12000.0	1

Parameter	Value	Units	Species
CL	78.0	mL.min-1.g-1	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase SYK	IC50	=	0.06	nM	10.22	Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia ...	32717371
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	12000.0	nM	4.92	Inhibition of human ERG by plate-based planar patch clamp method	32717371

PubMed	DOI	Target Context	# Activities
32717371	10.1016/j.bmcl.2020.127433	No relevant target	2
32717371	10.1016/j.bmcl.2020.127433	ADMET	2
32717371	10.1016/j.bmcl.2020.127433	Tyrosine-protein kinase SYK	1
32717371	10.1016/j.bmcl.2020.127433	SU-DHL-2	1
32717371	10.1016/j.bmcl.2020.127433	Voltage-gated inwardly rectifying potassium channel KCNH2	1

Data from ChEMBL 36 via Core Engine