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Compound Detail

CHEMBL5095202

VIMSELTINIB
🧪 Phase III
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🧪 Phase III
Cc1nc(-c2cnc(NC(C)C)n(C)c2=O)ccc1Oc1ccnc(-c2cnn(C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095202
Name VIMSELTINIB
Phase Phase III
Structure Type MOL
InChI Key TVGAHWWPABTBCX-UHFFFAOYSA-N

Known Names

Dcc-3014 DP-6865 Vimseltinib
10
Targets
19
Activities
1
Assay Types
14
PK Parameters
20
Publications
3
Known Names
3
Indications

Molecular Properties

431.5
MW (Da)
3.56
ALogP
9
HBA
1
HBD
99.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -tinib
USAN Year 2020

Extended Properties

Molecular Formula C23H25N7O2
MW 431.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.27

Indications

Giant Cell Tumor of Tendon Sheath Synovitis, Pigmented Villonodular Neoplasms

Activity Summary

IC50 19 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 8.7 8.376 2.0 5
Unchecked
CHEMBL612545
 IC50 8.03 6.63 9.3 3
NFS-60
CHEMBL614199
 IC50 7.75 7.75 18.0 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
 IC50 6.36 5.98 436.0 2
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 6.32 6.06 480.0 3
Protein-tyrosine kinase 6
CHEMBL4601
 IC50 5.68 5.68 2100.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 5.64 5.64 2300.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 5.57 5.57 2700.0 1
Tyrosine-protein kinase Lck
CHEMBL258
 IC50 5.55 5.55 2800.0 1
Cytochrome P450 2C9
CHEMBL3397
 IC50 4.79 4.79 16400.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 16401.31 ng.hr.mL-1 Rattus norvegicus
AUC 2343.91 ng.hr.mL-1 Canis lupus familiaris
CL 0.5 mL.min-1.kg-1 Rattus norvegicus
CL 2.5 mL.min-1.kg-1 Canis lupus familiaris
Cmax 3735.0 nM Rattus norvegicus
Cmax 1007.0 nM Canis lupus familiaris
F 76.0 % Rattus norvegicus
F 33.0 % Canis lupus familiaris
T1/2 19.8 hr Rattus norvegicus
T1/2 10.6 hr Canis lupus familiaris
Tmax 2.67 hr Rattus norvegicus
Tmax 1.67 hr Canis lupus familiaris
Vd 0.69 L.kg-1 Rattus norvegicus
Vd 1.33 L.kg-1 Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 2.0 nM 8.7 Inhibition of CSF1R (unknown origin) 38746878
Macrophage colony-stimulating factor 1 receptor IC50 = 2.2 nM 8.66 CSF1R Kinase Assay: The activity of CSF1R kinase (CSF1R, SEQ ID NO: 1) was deter... -
Macrophage colony-stimulating factor 1 receptor IC50 = 3.0 nM 8.52 Inhibition of CSF1R (unknown origin) in presence of 4 mM ATP measured by cell-ba... 35961460
Macrophage colony-stimulating factor 1 receptor IC50 = 3.7 nM 8.43 Inhibition of N-terminal His6-tagged recombinant human CSF1R (542 to 919 residue... 35961460
Unchecked IC50 = 9.3 nM 8.03 Inhibition of RANKL-induced human osteoclast precursor cells differentiation in ... 35961460
NFS-60 IC50 = 18.0 nM 7.75 Antiproliferative activity against CSF1-treated mouse NFS-60 cells measured afte... 35961460
Macrophage colony-stimulating factor 1 receptor IC50 = 27.0 nM 7.57 Inhibition of CSF1R in CSF1-stimulated human THP-1 cells assessed as inhibition ... 35961460
Platelet-derived growth factor receptor alpha IC50 = 436.0 nM 6.36 Inhibition of N-terminal GST-tagged PDGFRalpha (unknown origin) (550 to 1089 res... 35961460
Mast/stem cell growth factor receptor Kit IC50 = 480.0 nM 6.32 Inhibition of c-Kit (unknown origin) 38746878
Unchecked IC50 = 476.0 nM 6.32 Inhibition of His-Glu tagged recombinant human KIT Q694-T753 deletion mutant (56... 35961460
Mast/stem cell growth factor receptor Kit IC50 = 864.0 nM 6.06 c-Kit Kinase Assay: The activity of unphosphorylated c-KIT kinase (c-KIT, SEQ ID... -
Mast/stem cell growth factor receptor Kit IC50 = 1600.0 nM 5.8 Inhibition of KIT (unknown origin) in presence of 4 mM ATP measured by cell-base... 35961460
Protein-tyrosine kinase 6 IC50 = 2100.0 nM 5.68 Inhibition of BRK (unknown origin) in presence of 4 mM ATP measured by cell-base... 35961460
Platelet-derived growth factor receptor beta IC50 = 2300.0 nM 5.64 Inhibition of N-terminal GST-tagged PDGFRbeta (unknown origin) (557 to 1106 resi... 35961460
Platelet-derived growth factor receptor alpha IC50 = 2500.0 nM 5.6 PDGFRα Kinase Assay: The activity of unphosphorylated PDGFRα kinase was determin... -
Receptor-type tyrosine-protein kinase FLT3 IC50 = 2700.0 nM 5.57 FLT3 Kinase Assay: The activity of FLT3 kinase was determined spectroscopically ... -
Tyrosine-protein kinase Lck IC50 = 2800.0 nM 5.55 Inhibition of LCK (unknown origin) in presence of 4 mM ATP measured by cell-base... 35961460
Unchecked IC50 = 2900.0 nM 5.54 Inhibition of ABL (unknown origin) in presence of 4 mM ATP measured by cell-base... 35961460
Cytochrome P450 2C9 IC50 = 16400.0 nM 4.79 Inhibition of human CYP2C9 35961460

Literature References

PubMed DOI Target Context # Activities
35961460 10.1016/j.bmcl.2022.128928 ADMET 31
35961460 10.1016/j.bmcl.2022.128928 Unchecked 11
35961460 10.1016/j.bmcl.2022.128928 Macrophage colony-stimulating factor 1 receptor 3
- 10.6019/CHEMBL5724709 HEK-293T 2
- 10.6019/CHEMBL5724709 U2OS 2
- 10.6019/CHEMBL5724709 Fibroblast 2
35961460 10.1016/j.bmcl.2022.128928 Cytochrome P450 2C19 1
36335744 10.1016/j.ejmech.2022.114884 MC-38 1
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
35961460 10.1016/j.bmcl.2022.128928 Protein-tyrosine kinase 6 1
35961460 10.1016/j.bmcl.2022.128928 Mast/stem cell growth factor receptor Kit 1
35961460 10.1016/j.bmcl.2022.128928 Cytochrome P450 1A2 1
35961460 10.1016/j.bmcl.2022.128928 Cytochrome P450 2C9 1
35961460 10.1016/j.bmcl.2022.128928 Cytochrome P450 2D6 1
35961460 10.1016/j.bmcl.2022.128928 Cytochrome P450 3A4 1
35961460 10.1016/j.bmcl.2022.128928 Voltage-gated inwardly rectifying potassium channel KCNH2 1
35961460 10.1016/j.bmcl.2022.128928 No relevant target 1
35961460 10.1016/j.bmcl.2022.128928 NFS-60 1
35961460 10.1016/j.bmcl.2022.128928 Platelet-derived growth factor receptor beta 1
35961460 10.1016/j.bmcl.2022.128928 Platelet-derived growth factor receptor alpha 1

Data from ChEMBL 36 via Core Engine