Compound Detail

CHEMBL3902654

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Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3902654
Phase	Preclinical
Structure Type	MOL
InChI Key	RWEICHZKRDIUMB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

503.6

MW (Da)

1.40

ALogP

HBA

HBD

139.2

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 7.91

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase SYK CHEMBL2599	IC50	7.91	7.91	12.2	6
CD63 antigen CHEMBL3713303	IC50	6.92	6.92	120.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase SYK	IC50	=	12.2	nM	7.91	High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (...	-
Tyrosine-protein kinase SYK	IC50	=	12.2	nM	7.91	Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Immunoassay: Syk ...	-
Tyrosine-protein kinase SYK	IC50	=	12.2	nM	7.91	Biochemical Assay: Syk activity was measured using KinEASE (Cisbio), a time-reso...	-
Tyrosine-protein kinase SYK	IC50	=	12.2	nM	7.91	High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (...	-
Tyrosine-protein kinase SYK	IC50	=	12.2	nM	7.91	High Throughput Biochemical Assay: Syk activity was measured using KinEASE (Cisb...	-
Tyrosine-protein kinase SYK	IC50	=	12.2	nM	7.91	High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (...	-
CD63 antigen	IC50	=	120.0	nM	6.92	High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (...	-

Data from ChEMBL 36 via Core Engine