GILTERITINIB

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Synonyms
Status
Molecule Category Free-form
ATC L01EX13
UNII 66D92MGC8M

Structure

InChI Key GYQYAJJFPNQOOW-UHFFFAOYSA-N
Smiles CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1
InChI
InChI=1S/C29H44N8O3/c1-4-23-28(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/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H44N8O3
Molecular Weight 552.72
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 Other PubMed FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- 0.73-11.3 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 0.29-0.29 - 2-10 -
Transcription factor
- 8.5 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.29-11.3 - 2-10 4.05-45.1
Mus musculus
- 7.6 - - -

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
ChEBI 145372
ChEMBL CHEMBL3301622
DrugBank DB12141
DrugCentral 5306
FDA SRS 66D92MGC8M
Guide to Pharmacology 8708
PDB C6F
PubChem 49803313
SureChEMBL SCHEMBL282229
ZINC ZINC000113476229
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