GILTERITINIB

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01EX13
UNII: 66D92MGC8M

Structure
InChI Key GYQYAJJFPNQOOW-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase receptor FLT3 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
- 1-11 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 0-0 - - -
Transcription factor
- 9 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Blast Crisis 2 D001752 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 1254053-43-4
ChEBI 145372
ChEMBL CHEMBL3301622
DrugBank DB12141
DrugCentral 5306
FDA SRS 66D92MGC8M
Guide to Pharmacology 8708
PDB C6F
PubChem 49803313
SureChEMBL SCHEMBL282229
ZINC ZINC000113476229
CONTENTS