Compound Detail

CHEMBL3915720

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Cc1ccc2c(Nc3ccc(F)c(Cl)c3)nccc2c1NC(=O)c1csc2c(N)ncnc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3915720
Phase	Preclinical
Structure Type	MOL
InChI Key	GNDBDDNLWIOKDN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

478.9

MW (Da)

5.92

ALogP

HBA

HBD

105.8

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 7.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906	IC50	7.82	7.82	15.0	1
Serine/threonine-protein kinase B-raf CHEMBL5145	IC50	7.51	7.13	31.0	2
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	7.3	7.3	50.0	2
Epithelial discoidin domain-containing receptor 1 CHEMBL5319	IC50	7.15	7.15	71.0	1
Discoidin domain-containing receptor 2 CHEMBL5122	IC50	6.74	6.74	181.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RAF proto-oncogene serine/threonine-protein kinase	IC50	=	15.0	nM	7.82	Kinase Activity: The compounds prepared in Examples were tested for inhibitory a...	-
Serine/threonine-protein kinase B-raf	IC50	=	31.0	nM	7.51	Kinase Activity: The compounds prepared in Examples were tested for inhibitory a...	-
Macrophage colony-stimulating factor 1 receptor	IC50	=	50.0	nM	7.3	Kinase Activity: The compounds prepared in Examples were tested for inhibitory a...	-
Macrophage colony-stimulating factor 1 receptor	IC50	=	50.0	nM	7.3	Kinase Activity: The compounds prepared in Examples were tested for inhibitory a...	-
Epithelial discoidin domain-containing receptor 1	IC50	=	71.0	nM	7.15	Kinase Activity: The compounds prepared in Examples were tested for inhibitory a...	-
Serine/threonine-protein kinase B-raf	IC50	=	179.0	nM	6.75	Kinase Activity: The compounds prepared in Examples were tested for inhibitory a...	-
Discoidin domain-containing receptor 2	IC50	=	181.0	nM	6.74	Kinase Activity: The compounds prepared in Examples were tested for inhibitory a...	-

Data from ChEMBL 36 via Core Engine