Compound Detail

CHEMBL3953841

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Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCO[C@@H](CO)C4)cc3)n2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3953841
Phase	Preclinical
Structure Type	MOL
InChI Key	YMHAMCHFUTYGTR-MRXNPFEDSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

418.5

MW (Da)

1.71

ALogP

HBA

HBD

126.7

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 7.88

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase SYK CHEMBL2599	IC50	7.88	7.88	13.3	6
CD63 antigen CHEMBL3713303	IC50	7.48	7.48	33.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase SYK	IC50	=	13.3	nM	7.88	High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (...	-
Tyrosine-protein kinase SYK	IC50	=	13.3	nM	7.88	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Immunoassay: Syk ...	-
Tyrosine-protein kinase SYK	IC50	=	13.3	nM	7.88	Biochemical Assay: Syk activity was measured using KinEASE (Cisbio), a time-reso...	-
Tyrosine-protein kinase SYK	IC50	=	13.3	nM	7.88	High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (...	-
Tyrosine-protein kinase SYK	IC50	=	13.3	nM	7.88	High Throughput Biochemical Assay: Syk activity was measured using KinEASE (Cisb...	-
Tyrosine-protein kinase SYK	IC50	=	13.3	nM	7.88	High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (...	-
CD63 antigen	IC50	=	33.0	nM	7.48	High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (...	-

Data from ChEMBL 36 via Core Engine