MASITINIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EX06
UNII: M59NC4E26P

Structure
InChI Key WJEOLQLKVOPQFV-UHFFFAOYSA-N
Smile Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1
InChI
InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H30N6OS
Molecular Weight 498.66
AlogP 5.26
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 73.39
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fibroblast growth factor receptor 3 inhibitor
Primary Target
KIT proto-oncogene, receptor tyrosine kinase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase BCR family
- - 78 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO2 subfamily
- - 1700 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- - 1300 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - 770 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- - 1800 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - 2.1-593 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 26-3956 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - 800-4700 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- - 1800 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 1480 4.7-1500 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - 87-643 - -
Enzyme Oxidoreductase
- - 14 - -
Enzyme Transferase
3200 2500-2500 - - -9.85-5.689
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 10.68-89.36
Other cytosolic protein
- - 78 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC25 family of mitochondrial transporters
- - 6 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Multiple Sclerosis, Chronic Progressive 3 D020528 ClinicalTrials
Multiple Myeloma 3 D009101 ClinicalTrials
Melanoma 3 D008545 ClinicalTrials
Gastrointestinal Stromal Tumors 3 D046152 ClinicalTrials
Mastocytosis, Systemic 3 D034721 ClinicalTrials
Alzheimer Disease 3 D000544 ClinicalTrials
Amyotrophic Lateral Sclerosis 3 D000690 ClinicalTrials
Asthma 3 D001249 ClinicalTrials
Multiple Sclerosis 3 D009103 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Mastocytosis 2 D008415 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 790299-79-5
ChEBI 63450
ChEMBL CHEMBL1908391
DrugBank DB11526
FDA SRS M59NC4E26P
Guide to Pharmacology 5656
PDB G65
PubChem 10074640
SureChEMBL SCHEMBL717239
ZINC ZINC000034177219
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