Compound Detail

CHEMBL3102952

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Oc1ccc(-c2c[nH]c3ncc(-c4ccc(O)c(O)c4)cc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3102952
Phase	Preclinical
Structure Type	MOL
InChI Key	HBCKPNCVCXUSEU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

318.3

MW (Da)

4.01

ALogP

HBA

HBD

89.4

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 8.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508	IC50	8.52	8.39	3.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	3.0	nM	8.52	Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) ex...	24188002
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	5.5	nM	8.26	Inhibition of rat recombinant 6xHis-tagged DYRK1A catalytic domain (1 to 502) ex...	24188002

PubMed	DOI	Target Context	# Activities
24188002	10.1021/jm401049v	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	3
24188002	10.1021/jm401049v	KB	2
24188002	10.1021/jm401049v	Unchecked	2
24188002	10.1021/jm401049v	High affinity nerve growth factor receptor	1
24188002	10.1021/jm401049v	Serine/threonine-protein kinase pim-1	1
24188002	10.1021/jm401049v	Glycogen synthase kinase-3 beta	1
24188002	10.1021/jm401049v	Mitogen-activated protein kinase 1	1

Data from ChEMBL 36 via Core Engine