Details of the Drug

General Information of Drug (ID: DM3PXLZ)

Drug Name
FO-152
Synonyms AC1OCEZ1; FO-152; [(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate hydrochloride
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 397.78
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 9
Chemical Identifiers
Formula
C14H21ClFN3O7
IUPAC Name
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
Canonical SMILES
CC(C)[C@@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O)N.Cl
InChI
InChI=1S/C14H20FN3O7.ClH/c1-5(2)8(16)13(22)24-4-7-9(19)10(20)12(25-7)18-3-6(15)11(21)17-14(18)23;/h3,5,7-10,12,19-20H,4,16H2,1-2H3,(H,17,21,23);1H/t7-,8+,9-,10-,12-;/m1./s1
InChIKey
HMYHLEZOXXVLBU-LNKDGEPZSA-N
Cross-matching ID
PubChem CID
6918058
TTD ID
D0E8JO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Candida Thymidylate synthase (Candi TMP1) TTU6BFZ TYSY_CANAL Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003064)
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. (Target id: 2642).