Compound Detail

CHEMBL1988141

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CCC(=O)Nc1ccc(C(=O)N2CCNCC2)c(O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1988141
Phase	Preclinical
Structure Type	MOL
InChI Key	AEYLJTAIDDIOBA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

277.3

MW (Da)

0.79

ALogP

HBA

HBD

81.7

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C14H19N3O3
MW	277.32
Aromatic Rings	1
Heavy Atoms	20
NP-Likeness	-1.43

Activity Summary

Ki 60 meas. best 7.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	7.4	7.4	39.8	1
Hepatocyte growth factor receptor CHEMBL3717	Ki	7.3	7.3	50.1	1
Cyclin-dependent kinase 9 CHEMBL3116	Ki	7.3	7.3	50.1	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	Ki	7.2	7.2	63.1	1
G protein-coupled receptor kinase 5 CHEMBL5678	Ki	7.1	7.1	79.4	1
Leukocyte tyrosine kinase receptor CHEMBL5627	Ki	7.1	7.1	79.4	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	7.1	7.1	79.4	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	7.0	7.0	100.0	1
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	Ki	7.0	7.0	100.0	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	7.0	7.0	100.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	6.9	6.9	125.9	1
NT-3 growth factor receptor CHEMBL5608	Ki	6.9	6.9	125.9	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	6.9	6.9	125.9	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	6.9	6.9	125.9	1
Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147	Ki	6.8	6.8	158.5	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	6.8	6.8	158.5	1
Aurora kinase A CHEMBL4722	Ki	6.8	6.8	158.5	1
Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964	Ki	6.7	6.7	199.5	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.6	6.6	251.2	1
Cyclin-dependent kinase 8 CHEMBL5719	Ki	6.6	6.6	251.2	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	6.5	6.5	316.2	1
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	6.5	6.5	316.2	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	6.5	6.5	316.2	1
Calcium/calmodulin-dependent protein kinase type 1D CHEMBL5073	Ki	6.5	6.5	316.2	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	6.5	6.5	316.2	1
Mitogen-activated protein kinase 9 CHEMBL4179	Ki	6.4	6.4	398.1	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	6.4	6.4	398.1	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Ki	6.4	6.4	398.1	1
Insulin-like growth factor 1 receptor CHEMBL1957	Ki	6.4	6.4	398.1	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	Ki	6.4	6.4	398.1	1
Aurora kinase B CHEMBL2185	Ki	6.3	6.3	501.2	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	6.3	6.3	501.2	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	6.3	6.3	501.2	1
Serine/threonine-protein kinase Nek2 CHEMBL3835	Ki	6.3	6.3	501.2	1
LIM domain kinase 1 CHEMBL3836	Ki	6.3	6.3	501.2	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	6.2	6.2	631.0	1
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	6.2	6.2	631.0	1
Activated CDC42 kinase 1 CHEMBL4599	Ki	6.2	6.2	631.0	1
Cyclin-dependent kinase 7 CHEMBL3055	Ki	6.2	6.2	631.0	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	6.2	6.2	631.0	1
Macrophage-stimulating protein receptor CHEMBL2689	Ki	6.2	6.2	631.0	1
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	6.2	6.2	631.0	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	6.1	6.1	794.3	1
Casein kinase I isoform alpha CHEMBL2793	Ki	6.1	6.1	794.3	1
Serine/threonine-protein kinase PAK 4 CHEMBL4482	Ki	6.1	6.1	794.3	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	6.1	6.1	794.3	1
Protein kinase C theta type CHEMBL3920	Ki	6.1	6.1	794.3	1
Death-associated protein kinase 3 CHEMBL2468	Ki	6.1	6.1	794.3	1
Mitogen-activated protein kinase 14 CHEMBL260	Ki	6.0	6.0	1000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK4	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Hepatocyte growth factor receptor	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 9	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Leukocyte tyrosine kinase receptor	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
G protein-coupled receptor kinase 5	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase pim-1	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase receptor TYRO3	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 beta	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
NT-3 growth factor receptor	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
High affinity nerve growth factor receptor	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Calcium/calmodulin-dependent protein kinase type II subunit alpha	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 1	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity mitogen-activated protein kinase kinase 2	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 8	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Macrophage colony-stimulating factor 1 receptor	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine