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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.