Details of the Drug

General Information of Drug (ID: DMNKBEC)

Drug Name
Infigratinib
Synonyms BGJ398
Indication
Disease Entry ICD 11 Status REF
Cholangiocarcinoma 2C12.10 Approved [1]
Solid tumour/cancer 2A00-2F9Z Phase 2 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 560.5
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 3780 mcgh/L [3]
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 282.5 mcg/L [3]
Clearance
The clearance of drug is 33.1 L/h [3]
Elimination
Following administration of a single oral dose of radiolabeled infigratinib in healthy subjects, approximately 77% of the dose was recovered in feces, where 3.4% of the dose was in the unchanged parent form [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 33.5 hours [3]
Metabolism
The drug is metabolized via the CYP3A4 and flavin-containing monooxygenase 3 (FMO3) [3]
Vd
The volume of distribution (Vd) of drug is 1600 L [3]
Chemical Identifiers
Formula
C26H31Cl2N7O3
IUPAC Name
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea
Canonical SMILES
CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl
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)
InChIKey
QADPYRIHXKWUSV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
53235510
ChEBI ID
CHEBI:63451
CAS Number
872511-34-7
DrugBank ID
DB11886
TTD ID
D03LWG
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fibroblast growth factor receptor (FGFR) TT0LF7H NOUNIPROTAC Inhibitor [4]
Fibroblast growth factor receptor 1 (FGFR1) TTRLW2X FGFR1_HUMAN Modulator [5]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Fibroblast growth factor receptor 3 (FGFR3) OTSAXDIL FGFR3_HUMAN Drug Response [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cholangiocarcinoma
ICD Disease Classification 2C12.10
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Fibroblast growth factor receptor 1 (FGFR1) DTT FGFR1 4.79E-02 -0.03 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2021. Application Number: 214622.
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7877).
3 FDA Approved Drug Products: TRUSELTIQ (infigratinib) capsules, for oral use
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 Pharmacological inhibition of fibroblast growth factor (FGF) receptor signaling ameliorates FGF23-mediated hypophosphatemic rickets. J Bone Miner Res. 2013 Apr;28(4):899-911.
6 Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase. J Med Chem. 2011 Oct 27;54(20):7066-83. doi: 10.1021/jm2006222. Epub 2011 Sep 21.