Compound Detail

CHEMBL146697

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Cc1c(CCC(=O)O)c[nH]c1/C=C1\C(=O)Nc2ccc(S(N)(=O)=O)cc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL146697
Phase	Preclinical
Structure Type	MOL
InChI Key	YLOCIDYFMMJTMC-QPEQYQDCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

375.4

MW (Da)

1.48

ALogP

HBA

HBD

142.3

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.34

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	6.34	6.34	460.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.04	6.04	920.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	5.22	5.22	5980.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 1	IC50	=	460.0	nM	6.34	Inhibitory activity against Fibroblast growth factor receptor 1	10602697
Vascular endothelial growth factor receptor 2	IC50	=	920.0	nM	6.04	Inhibitory activity against Vascular endothelial growth factor receptor 2	10602697
Platelet-derived growth factor receptor beta	IC50	=	5980.0	nM	5.22	Inhibitory activity against Platelet-derived growth factor receptor beta	10602697

PubMed	DOI	Target Context	# Activities
10602697	10.1021/jm9904295	Vascular endothelial growth factor receptor 2	2
10602697	10.1021/jm9904295	Fibroblast growth factor receptor 1	2
10602697	10.1021/jm9904295	Platelet-derived growth factor receptor beta	2
10602697	10.1021/jm9904295	Epidermal growth factor receptor	2

Data from ChEMBL 36 via Core Engine