Details of the Drug

General Information of Drug (ID: DMR3952)

Drug Name
FBS-0701
Synonyms Desferrithiocin analog (oral, iron overload), FerroKin Biosciences; Iron chelator (oral, iron overload), FerroKin Biosciences
Indication
Disease Entry ICD 11 Status REF
Iron overload disease 5C64.10 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 399.5
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C18H25NO7S
IUPAC Name
(4S)-2-[2-hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
Canonical SMILES
C[C@@]1(CSC(=N1)C2=C(C(=CC=C2)OCCOCCOCCOC)O)C(=O)O
InChI
InChI=1S/C18H25NO7S/c1-18(17(21)22)12-27-16(19-18)13-4-3-5-14(15(13)20)26-11-10-25-9-8-24-7-6-23-2/h3-5,20H,6-12H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKey
AWHIMFSHNAAMBM-GOSISDBHSA-N
Cross-matching ID
PubChem CID
135565672
CAS Number
945635-15-4
TTD ID
D0D8TE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hemoglobin (HB) TTQO71U HBA_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01186419) Safety and Pharmacodynamic Study of an Oral Iron Chelator Given for 6 Months to Patients With Iron Overload. U.S. National Institutes of Health.
2 A high-affinity fully human anti-IL-6 mAb, 1339, for the treatment of multiple myeloma. Clin Cancer Res. 2009 Dec 1;15(23):7144-52.