Compound Detail

CHEMBL3764045

TAS-115

Phase I

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Phase I

CNC(=O)c1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccnc2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3764045
Name	TAS-115
Phase	Phase I
Structure Type	MOL
InChI Key	ORRNXRYWGDUDOG-UHFFFAOYSA-N

Known Names

Pamufetinib Tas-115

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Mechanisms

Molecular Properties

518.6

MW (Da)

4.59

ALogP

HBA

HBD

101.6

PSA (Å²)

0.31

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C27H23FN4O4S
MW	518.57
Aromatic Rings	4
Heavy Atoms	37
NP-Likeness	-1.55

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Hepatocyte growth factor receptor inhibitor	INHIBITOR	Hepatocyte growth factor receptor	✓	✓
Vascular endothelial growth factor receptor 2 inhibitor	INHIBITOR	Vascular endothelial growth factor receptor 2	✓	✓

Activity Summary

IC50 9 meas. best 9.09

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Platelet-derived growth factor receptor alpha CHEMBL2007	IC50	9.09	9.09	0.8	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	8.15	8.15	7.1	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	IC50	7.82	7.82	15.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.52	7.52	30.0	3
Hepatocyte growth factor receptor CHEMBL3717	IC50	7.5	7.5	32.0	3

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Platelet-derived growth factor receptor alpha	IC50	=	0.81	nM	9.09	Inhibition of wild type human PDGFRalpha transfected with CHO cells by ADP-Glo a...	37683364
Platelet-derived growth factor receptor beta	IC50	=	7.06	nM	8.15	Inhibition of PDGFRbeta (unknown origin) by DiscoverX KINOMEscan assay	37683364
Tyrosine-protein kinase receptor UFO	IC50	=	15.0	nM	7.82	Inhibition of AXL (unknown origin) by FRET assay	37708796
Vascular endothelial growth factor receptor 2	IC50	=	30.0	nM	7.52	Inhibition of recombinant N-terminal 6His-tagged VEGFR-2 (unknown origin) using ...	26717201
Vascular endothelial growth factor receptor 2	IC50	=	30.0	nM	7.52	Inhibition of human recombinant VEGFR2 (805 to 1356 residues) in presence of ATP...	39026631
Vascular endothelial growth factor receptor 2	IC50	=	30.0	nM	7.52	Inhibition of VEGFR-2 (unknown origin) by ELISA method	37708796
Hepatocyte growth factor receptor	IC50	=	32.0	nM	7.5	Inhibition of recombinant N-terminal GST-tagged human Met using FLPeptide 2 as s...	26717201
Hepatocyte growth factor receptor	IC50	=	32.0	nM	7.5	Inhibition of N-terminal GST-tagged human recombinant c-MET (956 to 1390 residue...	39026631
Hepatocyte growth factor receptor	IC50	=	32.0	nM	7.5	Inhibition of c-Met (unknown origin) by mobility shift assay	37708796

Literature References

PubMed	DOI	Target Context	# Activities
26717201	10.1016/j.ejmech.2015.12.016	Hepatocyte growth factor receptor	1
26717201	10.1016/j.ejmech.2015.12.016	Vascular endothelial growth factor receptor 2	1
26717201	10.1016/j.ejmech.2015.12.016	HUVEC	1
37683364	10.1016/j.ejmech.2023.115762	Platelet-derived growth factor receptor alpha	1
37683364	10.1016/j.ejmech.2023.115762	Platelet-derived growth factor receptor beta	1
39026631	10.1039/d4md00280f	Hepatocyte growth factor receptor	1
39026631	10.1039/d4md00280f	Vascular endothelial growth factor receptor 2	1
37708796	10.1016/j.ejmech.2023.115796	Tyrosine-protein kinase receptor UFO	1
37708796	10.1016/j.ejmech.2023.115796	Vascular endothelial growth factor receptor 2	1
37708796	10.1016/j.ejmech.2023.115796	Hepatocyte growth factor receptor	1

Data from ChEMBL 36 via Core Engine