Compound Detail

CHEMBL4793171

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c1cc2cc(c1)-c1cncc3[nH]c(nc13)-c1n[nH]c3ccc(cc13)-c1cncc(c1)CNC2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4793171
Phase	Preclinical
Structure Type	MOL
InChI Key	FCRKDUMNYHEUTB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

429.5

MW (Da)

4.83

ALogP

HBA

HBD

95.2

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 7 meas. best 9.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glycogen synthase kinase-3 beta CHEMBL262	EC50	9.0	9.0	1.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	EC50	8.7	8.7	2.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	EC50	8.52	8.52	3.0	2
Dual specificity protein kinase CLK3 CHEMBL4226	EC50	7.92	7.92	12.0	1
Unchecked CHEMBL612545	EC50	7.38	7.04	41.8	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glycogen synthase kinase-3 beta	EC50	=	1.0	nM	9.0	Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ...	-
Dual specificity protein kinase CLK2	EC50	=	2.0	nM	8.7	Inhibition of recombinant CLK2 (unknown origin) using Ser/Thr 6 peptide as subst...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	3.0	nM	8.52	Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	EC50	=	3.0	nM	8.52	Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt...	-
Dual specificity protein kinase CLK3	EC50	=	12.0	nM	7.92	Inhibition of recombinant CLK3 (unknown origin) using Ser/Thr 18 peptide as subs...	-
Unchecked	EC50	=	41.8	nM	7.38	Effect on Wnt signaling pathway in human SW480 cells harbouring TCF/LEF lucifera...	-
Unchecked	EC50	=	200.0	nM	6.7	Induction of chondrogenesis in human MSC assessed as incubated for 6 days by rho...	-

Data from ChEMBL 36 via Core Engine