Compound Detail

CHEMBL2000335

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Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2000335
Phase	Preclinical
Structure Type	MOL
InChI Key	DKSNLQYRZJKYOC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

389.5

MW (Da)

5.20

ALogP

HBA

HBD

92.9

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C21H19N5OS
MW	389.48
Aromatic Rings	4
Heavy Atoms	28
NP-Likeness	-1.67

Activity Summary

Ki 69 meas. best 9.6

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	9.6	9.6	0.3	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	8.6	8.6	2.5	1
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Ki	8.4	8.4	4.0	1
Serine/threonine-protein kinase NLK CHEMBL5364	Ki	8.3	8.3	5.0	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	7.9	7.9	12.6	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	7.9	7.9	12.6	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	7.8	7.8	15.8	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	7.7	7.7	19.9	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	Ki	7.7	7.7	19.9	1
Tyrosine-protein kinase Lyn CHEMBL3905	Ki	7.4	7.4	39.8	1
Aurora kinase A CHEMBL4722	Ki	7.4	7.4	39.8	1
Serine/threonine-protein kinase PLK3 CHEMBL4897	Ki	7.4	7.4	39.8	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	7.3	7.3	50.1	1
Tyrosine-protein kinase Blk CHEMBL2250	Ki	7.3	7.3	50.1	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	7.3	7.3	50.1	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	7.3	7.3	50.1	1
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Ki	7.1	7.1	79.4	1
Ribosomal protein S6 kinase alpha-5 CHEMBL4237	Ki	7.1	7.1	79.4	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Ki	7.1	7.1	79.4	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	6.9	6.9	125.9	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.9	6.9	125.9	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.9	6.9	125.9	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	6.9	6.9	125.9	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	6.9	6.9	125.9	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	6.8	6.8	158.5	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	6.8	6.8	158.5	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	6.7	6.7	199.5	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	6.7	6.7	199.5	1
Fibroblast growth factor receptor 3 CHEMBL2742	Ki	6.6	6.6	251.2	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	6.5	6.5	316.2	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	6.5	6.5	316.2	1
Ephrin type-A receptor 2 CHEMBL2068	Ki	6.5	6.5	316.2	1
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	6.5	6.5	316.2	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	6.3	6.3	501.2	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	6.3	6.3	501.2	1
Serine/threonine-protein kinase Nek2 CHEMBL3835	Ki	6.3	6.3	501.2	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	6.3	6.3	501.2	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	6.3	6.3	501.2	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.2	6.2	631.0	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	6.2	6.2	631.0	1
LIM domain kinase 1 CHEMBL3836	Ki	6.1	6.1	794.3	1
Tyrosine-protein kinase Fer CHEMBL3982	Ki	6.1	6.1	794.3	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Ki	6.1	6.1	794.3	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	6.1	6.1	794.3	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.0	6.0	1000.0	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	6.0	6.0	1000.0	1
SRSF protein kinase 1 CHEMBL4375	Ki	6.0	6.0	1000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 1	Ki	=	0.2512	nM	9.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	2.512	nM	8.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Homeodomain-interacting protein kinase 4	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase NLK	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK4	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase beta-1	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Fibroblast growth factor receptor 1	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase receptor UFO	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 3	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lyn	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK3	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase FRK	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lck	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Blk	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
STE20-like serine/threonine-protein kinase	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase alpha-5	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP kinase-interacting serine/threonine-protein kinase 2	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mast/stem cell growth factor receptor Kit	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Homeodomain-interacting protein kinase 2	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine