Details of the Drug

General Information of Drug (ID: DMGROQP)

Drug Name
FK-505
Synonyms FR-76505; 2-[3-(4-Bromo-2-fluorobenzyl)-7-fluoro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetic acid
Indication
Disease Entry ICD 11 Status REF
Hyperuricaemia 5C55.Y Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 425.2
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H11BrF2N2O4
IUPAC Name
2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-fluoro-2,4-dioxoquinazolin-1-yl]acetic acid
Canonical SMILES
C1=CC2=C(C=C1F)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O
InChI
InChI=1S/C17H11BrF2N2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)
InChIKey
XLOHSVVOWVIPFC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3086955
CAS Number
112733-08-1
TTD ID
D0VT2C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
FK506-binding protein (FKBP) TTFH2RS NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 X-Ray Powder Diffraction Study on the Grinding Effect of the Polymorphs of a Novel and Orally Effective Uricosuric Agent: FR76505. Volume 20, Issue 18, 1994.
2 Prevention of Cardiac Hypertrophy by Calcineurin Inhibition. Circulation Research. 1999; 84: 623-632.