ENTOSPLETINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6I3O3W6O3B

Structure
InChI Key XSMSNFMDVXXHGJ-UHFFFAOYSA-N
Smile c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1
InChI
InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21N7O
Molecular Weight 411.47
AlogP 3.85
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 83.37
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase SYK inhibitor PubMed
Primary Target
spleen associated tyrosine kinase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
453 - - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
453 - - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
327 - - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
2-367 8-19416 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 801 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma, Follicular 2 D008224 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 2 D016403 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1229208-44-9
ChEMBL CHEMBL3265032
DrugBank DB12121
FDA SRS 6I3O3W6O3B
Guide to Pharmacology 7889
PDB CG9
PubChem 59473233
SureChEMBL SCHEMBL2483776
ZINC ZINC000098208742
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