Compound Detail

CHEMBL4786934

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Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4786934
Phase	Preclinical
Structure Type	MOL
InChI Key	LENRDGRRDOMHBO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

428.5

MW (Da)

3.24

ALogP

HBA

HBD

125.7

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 9.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	EC50	9.0	9.0	1.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	EC50	9.0	9.0	1.0	1
Dual specificity protein kinase CLK3 CHEMBL4226	EC50	7.77	7.77	17.0	1
Unchecked CHEMBL612545	EC50	7.52	7.135	30.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	1.0	nM	9.0	Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su...	-
Dual specificity protein kinase CLK2	EC50	=	1.0	nM	9.0	Inhibition of recombinant CLK2 (unknown origin) using Ser/Thr 6 peptide as subst...	-
Dual specificity protein kinase CLK3	EC50	=	17.0	nM	7.77	Inhibition of recombinant CLK3 (unknown origin) using Ser/Thr 18 peptide as subs...	-
Unchecked	EC50	=	30.0	nM	7.52	Effect on Wnt signaling pathway in human SW480 cells harbouring TCF/LEF lucifera...	-
Unchecked	EC50	=	179.7	nM	6.75	Inhibition of IL1-beta induced MMP3 expression levels in human chondrocytes asse...	-

Data from ChEMBL 36 via Core Engine