Compound Detail

CHEMBL62176

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CN1C(=S)C(C(=O)Nc2ccccc2)c2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL62176
Phase	Preclinical
Structure Type	MOL
InChI Key	PMQPQXPWWRMDGF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

282.4

MW (Da)

3.19

ALogP

HBA

HBD

32.3

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 6.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	IC50	6.0	6.0	1000.0	1
Fibroblast growth factor receptor CHEMBL2111391	IC50	5.52	5.52	3000.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	5.01	5.01	9700.0	1
A-431 CHEMBL614069	IC50	4.82	4.82	15000.0	1
Platelet-derived growth factor receptor CHEMBL2096980	IC50	4.77	4.77	17000.0	1
K562 CHEMBL385	IC50	4.5	4.5	32000.0	1
KG-1 CHEMBL612264	IC50	4.42	4.42	38000.0	1
NIH3T3 CHEMBL614822	IC50	4.19	4.19	64000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	IC50	=	1000.0	nM	6.0	Inhibition of tyrosine phosphorylation activity of the epidermal growth factor r...	8027985
Fibroblast growth factor receptor	IC50	=	3000.0	nM	5.52	Inhibition of bFGF receptor autophosphorylation in mouse fibroblasts	8027985
Proto-oncogene tyrosine-protein kinase Src	IC50	=	9700.0	nM	5.01	Inhibition of tyrosine phosphorylation activity of the pp60v-src tyrosine kinase...	8027985
A-431	IC50	=	15000.0	nM	4.82	Inhibition of A431 human epidermoid carcinoma cell proliferation	8027985
Platelet-derived growth factor receptor	IC50	=	17000.0	nM	4.77	Inhibition of PDGF receptor autophosphorylation in mouse fibroblasts	8027985
K562	IC50	=	32000.0	nM	4.5	Inhibition of K562 chronic myelogenous leukemia cell proliferation	8027985
KG-1	IC50	=	38000.0	nM	4.42	Inhibition of kg1A acute myelogenous leukemia cell proliferation	8027985
NIH3T3	IC50	=	64000.0	nM	4.19	Inhibition of Swiss 3T3 Mouse fibroblast proliferation	8027985

PubMed	DOI	Target Context	# Activities
8027985	10.1021/jm00039a016	Epidermal growth factor receptor	2
8027985	10.1021/jm00039a016	Proto-oncogene tyrosine-protein kinase Src	1
8027985	10.1021/jm00039a016	NIH3T3	1
8027985	10.1021/jm00039a016	A-431	1
8027985	10.1021/jm00039a016	K562	1
8027985	10.1021/jm00039a016	KG-1	1
8027985	10.1021/jm00039a016	Platelet-derived growth factor receptor	1
8027985	10.1021/jm00039a016	Fibroblast growth factor receptor	1
7837241	10.1021/jm00001a011	Epidermal growth factor receptor	1
7837241	10.1021/jm00001a011	Proto-oncogene tyrosine-protein kinase Src	1

Data from ChEMBL 36 via Core Engine