LANRAPLENIB

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Synonyms
Status
Molecule Category Free-form
UNII A6U64OU57E

Structure

InChI Key XCIGZBVOUQVIPI-UHFFFAOYSA-N
Smiles Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)cc3)n2)n1
InChI
InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H25N9O
Molecular Weight 443.52
AlogP 2.03
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 109.73
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Tyrosine-protein kinase SYK inhibitor INHIBITOR Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 120 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 120 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
24-700 6.2 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
24-700 6.2-120 - - -

Target Conservation

Protein: Tyrosine-protein kinase SYK
Description: Tyrosine-protein kinase SYK
Organism : Homo sapiens
P43405 ENSG00000165025

Cross References

Resources Reference
ChEMBL CHEMBL3986824
DrugBank DB14770
FDA SRS A6U64OU57E
Guide to Pharmacology 9764
PDB R6D
PubChem 118161062
SureChEMBL SCHEMBL16820581
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