Compound Detail

CHEMBL2347407

Enter ChEMBL ID:

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

CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4c(C(C)(C)O)cccc34)nc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2347407
Phase	Preclinical
Structure Type	MOL
InChI Key	NLQOKMKYJKNJGC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

392.5

MW (Da)

3.26

ALogP

HBA

HBD

119.6

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase SYK CHEMBL2599	IC50	8.0	7.13	10.0	3
Cytochrome P450 2D6 CHEMBL289	IC50	5.3	5.3	5000.0	1

Parameter	Value	Units	Species
CL	44.2	mL.min-1.kg-1	Rattus norvegicus
F	2.2	%	Rattus norvegicus
T1/2	4.93	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase SYK	IC50	=	10.0	nM	8.0	Inhibition of human recombinant truncated SYK (360 to 365 amino acid residues) u...	23350847
Tyrosine-protein kinase SYK	IC50	=	76.0	nM	7.12	Inhibition of SYK in human Ramos cells	23350847
Tyrosine-protein kinase SYK	IC50	=	534.0	nM	6.27	Inhibition of SYK in human whole blood	23350847
Cytochrome P450 2D6	IC50	=	5000.0	nM	5.3	Inhibition of CYP2D6 (unknown origin)	23350847

PubMed	DOI	Target Context	# Activities
23350847	10.1021/jm301720p	Rattus norvegicus	5
23350847	10.1021/jm301720p	Tyrosine-protein kinase SYK	3
23350847	10.1021/jm301720p	Liver microsomes	2
23350847	10.1021/jm301720p	Voltage-gated inwardly rectifying potassium channel KCNH2	1
23350847	10.1021/jm301720p	Cytochrome P450 2D6	1
23350847	10.1021/jm301720p	Caco-2	1
23350847	10.1021/jm301720p	No relevant target	1

Data from ChEMBL 36 via Core Engine