INFIGRATINIB

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A4055ME1VK

Structure
InChI Key QADPYRIHXKWUSV-UHFFFAOYSA-N
Smile CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1
InChI
InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H31Cl2N7O3
Molecular Weight 560.49
AlogP 5.35
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 95.09
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Fibroblast growth factor receptor inhibitor PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase BCR family
- 2192 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- 4142 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- 3078 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 2192 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- 3039 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 0.66-3036 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- 3371 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 2882 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 2882 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- 2891 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 750-2501 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 3352 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Sev family
- 3263 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 2482-2500 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
- 5358 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 3405 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- 2051 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- 3139 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 180-1449 - - -
Enzyme Transferase
- - - - 11.01-16.52
Enzyme
- 0.66-3036 - - 11.01-16.52
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -8.82-16.66
Membrane receptor Frizzled family G protein-coupled receptor Smoothened receptor (frizzled family GPCR)
- - - 46.5 10-25
Other cytosolic protein
- 2192 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cholangiocarcinoma 3 D018281 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Osteomalacia 2 D010018 ClinicalTrials
Squamous Cell Carcinoma of Head and Neck 2 D000077195 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Papillomavirus Infections 2 D030361 ClinicalTrials
Achondroplasia 2 D000130 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Gastrointestinal Stromal Tumors 1 D046152 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Uterine Cervical Neoplasms 1 D002583 ClinicalTrials

Cross References

Resources Reference
ChEBI 63451
ChEMBL CHEMBL1852688
DrugBank DB11886
EPA CompTox DTXSID70236238
FDA SRS A4055ME1VK
Guide to Pharmacology 7877
PDB 07J
PubChem 53235510
SureChEMBL SCHEMBL374435
ZINC ZINC000072105034
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