Compound Detail

CHEMBL4875929

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CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(C)c23)n[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4875929
Phase	Preclinical
Structure Type	MOL
InChI Key	AZCHQQLGTDJHFL-ZDUSSCGKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

391.4

MW (Da)

4.67

ALogP

HBA

HBD

91.4

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
G protein-coupled receptor kinase 6 CHEMBL6144	IC50	7.96	7.085	11.0	2
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	6.77	6.77	170.0	1
Aurora kinase A CHEMBL4722	IC50	6.48	6.48	330.0	1

Parameter	Value	Units	Species
T1/2	1.0	hr	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
G protein-coupled receptor kinase 6	IC50	=	11.0	nM	7.96	Inhibition of recombinant full-length human GRK6 using casein as substrate measu...	34291633
Insulin-like growth factor 1 receptor	IC50	=	170.0	nM	6.77	Inhibition of recombinant human IGF-1R (959 to end residues) using KKKSPGEYVNIEF...	34291633
Aurora kinase A	IC50	=	330.0	nM	6.48	Inhibition of recombinant full length human Aurora A using LRRASLG as substrate ...	34291633
G protein-coupled receptor kinase 6	IC50	=	610.0	nM	6.21	Binding affinity to FLAG-tagged GRK6 in human KMS11 cells incubated for 2.5 hrs ...	34291633

PubMed	DOI	Target Context	# Activities
34291633	10.1021/acs.jmedchem.1c00506	G protein-coupled receptor kinase 6	3
34291633	10.1021/acs.jmedchem.1c00506	Unchecked	2
34291633	10.1021/acs.jmedchem.1c00506	Aurora kinase A	1
34291633	10.1021/acs.jmedchem.1c00506	Insulin-like growth factor 1 receptor	1

Data from ChEMBL 36 via Core Engine