LANRAPLENIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A6U64OU57E

Structure
InChI Key XCIGZBVOUQVIPI-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase SYK 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
24-1305 6 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sjogren's Syndrome 2 D012859 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Lupus Erythematosus, Cutaneous 2 D008178 ClinicalTrials
Immune System Diseases 1 D007154 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1800046-95-0
ChEMBL CHEMBL3986824
DrugBank DB14770
FDA SRS A6U64OU57E
Guide to Pharmacology 9764
PDB R6D
PubChem 118161062
SureChEMBL SCHEMBL16820581
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