Structure

InChI Key ZQGJCHHKJNSPMS-UHFFFAOYSA-L
Smile COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)([O-])[O-])C(=O)C(C)(C)O4)n2)cc(OC)c1OC.O.O.O.O.O.O.[Na+].[Na+]
InChI
InChI=1S/C23H26FN6O9P.2Na.6H2O/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4;;;;;;;;/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29);;;6*1H2/q;2*+1;;;;;;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H36FN6Na2O15P
Molecular Weight 732.52
AlogP 3.09
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 186.72
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase SYK inhibitor FDA PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Purpura, Thrombocytopenic, Idiopathic 4 D016553 FDA
Anemia, Hemolytic, Autoimmune 3 D000744 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Glomerulonephritis, IGA 2 D005922 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.21
Gastrointestinal disorders
15.12
Injury, poisoning and procedural complications
13.41
Investigations
12.48
Nervous system disorders
8.25
Vascular disorders
7.5
Psychiatric disorders
3.85
Skin and subcutaneous tissue disorders
3.6
Cardiac disorders
3.27
Musculoskeletal and connective tissue disorders
3.23
Respiratory, thoracic and mediastinal disorders
3.02
Infections and infestations
2.89

Cross References

Resources Reference
ChEMBL CHEMBL3989516
FDA SRS 86EEZ49YVB
PubChem 24828759
SureChEMBL SCHEMBL15110498