GILTERITINIB FUMARATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 5RZZ0Z1GJT

Structure

InChI Key UJOUWHLYTQFUCU-WXXKFALUSA-N
Smiles CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/2C29H44N8O3.C4H4O4/c2*1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36;5-3(6)1-2-4(7)8/h2*5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34);1-2H,(H,5,6)(H,7,8)/b;;2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C62H92N16O10
Molecular Weight 1221.52
AlogP 2.7
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 121.11
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Tyrosine-protein kinase receptor FLT3 inhibitor INHIBITOR FDA PubMed Other PubMed

Target Conservation

Protein: Tyrosine-protein kinase receptor UFO
Description: Tyrosine-protein kinase receptor UFO
Organism : Homo sapiens
P30530 ENSG00000167601
Protein: Tyrosine-protein kinase receptor FLT3
Description: Receptor-type tyrosine-protein kinase FLT3
Organism : Homo sapiens
P36888 ENSG00000122025

Cross References

Resources Reference
ChEMBL CHEMBL3301603
FDA SRS 5RZZ0Z1GJT
PubChem 76970819
SureChEMBL SCHEMBL21819929
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