Compound Detail

CHEMBL4227505

SOTULETINIB

🧪 Phase II

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🧪 Phase II

CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4227505
Name	SOTULETINIB
Phase	Phase II
Structure Type	MOL
InChI Key	ADZBMFGQQWPHMJ-RHSMWYFYSA-N

Known Names

Blz945 Sotuletinib

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

398.5

MW (Da)

3.56

ALogP

HBA

HBD

96.4

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Extended Properties

Molecular Formula	C20H22N4O3S
MW	398.49
Aromatic Rings	3
Heavy Atoms	28
NP-Likeness	-1.17

Indications

Neoplasms

Activity Summary

IC50 16 meas. best 9.0

Kd 5 meas. best 8.47

EC50 1 meas. best 7.15

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	IC50	9.0	8.6544	1.0	9
CT26 CHEMBL613866	IC50	9.0	9.0	1.0	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Kd	8.47	8.47	3.4	1
Platelet-derived growth factor receptor beta CHEMBL1913	Kd	7.34	7.34	46.0	1
NFS-60 CHEMBL614199	EC50	7.15	7.15	71.0	1
Platelet-derived growth factor receptor alpha CHEMBL2007	Kd	6.68	6.68	210.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	6.24	5.78	579.0	2
Mast/stem cell growth factor receptor Kit CHEMBL1936	Kd	5.52	5.52	3000.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	5.5	5.5	3200.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Kd	5.06	5.06	8700.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.04	5.04	9100.0	1
Panc02 CHEMBL4483283	IC50	4.75	4.5	18000.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.0	nM	9.0	Inhibition of CSF1R (unknown origin)	32787110
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.0	nM	9.0	Inhibition of CSF1R (unknown origin)	32898763
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.0	nM	9.0	Inhibition of CSF1R (unknown origin)	38330850
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.0	nM	9.0	Inhibition of CSF-1R (unknown origin)	38401188
CT26	IC50	=	1.0	nM	9.0	Antiproliferative activity against mouse CT26 cells assessed as inhibition of ce...	36335744
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.0	nM	9.0	Inhibition of CSF1R (unknown origin)	37708796
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.0	nM	9.0	Inhibition of CSF1R (unknown origin)	38746878
Macrophage colony-stimulating factor 1 receptor	IC50	=	1.2	nM	8.92	Inhibition of CSF1R (unknown origin)	29293000
Macrophage colony-stimulating factor 1 receptor	Kd	=	3.4	nM	8.47	Binding affinity to human wild type CSF1R (I564 to S939 residues) expressed in b...	32787110
Macrophage colony-stimulating factor 1 receptor	IC50	=	6.9	nM	8.16	Inhibition of CSF1R (unknown origin) using FRET-peptide as substrate incubated i...	38330850
Platelet-derived growth factor receptor beta	Kd	=	46.0	nM	7.34	Binding affinity to human wild type PDGFRbeta (V582 to Y1009 residues) expressed...	32787110
NFS-60	EC50	=	71.0	nM	7.15	Antiproliferative activity against mouse M-NFS-60 cells harboring CSF1	29293000
Macrophage colony-stimulating factor 1 receptor	IC50	=	155.0	nM	6.81	Inhibition of CSF1R phosphorylation in M-CSF induced human THP1 cells incubated ...	32787110
Platelet-derived growth factor receptor alpha	Kd	=	210.0	nM	6.68	Binding affinity to human wild type PDGFRalpha (V575 to D1002 residues) expresse...	32787110
Platelet-derived growth factor receptor beta	IC50	=	579.0	nM	6.24	Inhibition of human PDGFRbeta phosphorylation in PDGF-DD induced human HEK293-Te...	32787110
Mast/stem cell growth factor receptor Kit	Kd	=	3000.0	nM	5.52	Binding affinity to c-Kit (unknown origin) by kinome scan assay	32787110
Mast/stem cell growth factor receptor Kit	IC50	=	3200.0	nM	5.5	Inhibition of c-Kit (unknown origin)	38746878
Platelet-derived growth factor receptor beta	IC50	=	4800.0	nM	5.32	Inhibition of PDGFR-beta (unknown origin)	38746878
Receptor-type tyrosine-protein kinase FLT3	Kd	=	8700.0	nM	5.06	Binding affinity to human wild type FLT3 (V592 to Y969 residues) expressed in ba...	32787110
Receptor-type tyrosine-protein kinase FLT3	IC50	=	9100.0	nM	5.04	Inhibition of FLT3 (unknown origin)	38746878

Literature References

PubMed	DOI	Target Context	# Activities
32787110	10.1021/acs.jmedchem.0c00936	MC-38	7
38593344	10.1021/acs.jmedchem.4c00508	MC-38	6
32787110	10.1021/acs.jmedchem.0c00936	Unchecked	5
32787110	10.1021/acs.jmedchem.0c00936	Panc02	5
32787110	10.1021/acs.jmedchem.0c00936	Macrophage colony-stimulating factor 1 receptor	3
32787110	10.1021/acs.jmedchem.0c00936	EMT6	3
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
38330850	10.1016/j.bmc.2024.117628	Macrophage colony-stimulating factor 1 receptor	2
32787110	10.1021/acs.jmedchem.0c00936	Platelet-derived growth factor receptor beta	2
38746878	10.1021/acsmedchemlett.4c00110	Platelet-derived growth factor receptor beta	1
29293000	10.1021/acs.jmedchem.7b00873	Macrophage colony-stimulating factor 1 receptor	1
38401188	10.1016/j.ejmech.2024.116253	Macrophage colony-stimulating factor 1 receptor	1
32898763	10.1016/j.ejmech.2020.112762	Macrophage colony-stimulating factor 1 receptor	1
34905377	10.1021/acs.jmedchem.1c01571	Macrophage colony-stimulating factor 1 receptor	1
32787110	10.1021/acs.jmedchem.0c00936	Platelet-derived growth factor receptor alpha	1
32787110	10.1021/acs.jmedchem.0c00936	Mast/stem cell growth factor receptor Kit	1
32787110	10.1021/acs.jmedchem.0c00936	Receptor-type tyrosine-protein kinase FLT3	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
29293000	10.1021/acs.jmedchem.7b00873	NFS-60	1

Data from ChEMBL 36 via Core Engine