Details of the Drug

General Information of Drug (ID: DMQ0F5P)

Drug Name
NUC-3373
Synonyms
Fosifloxuridine nafalbenamide; 1332837-31-6; CHEMBL2181367; EX-A4413; DB14859; J3.616.613D; UNII-4YO6QT3SZ9 component BIOWRMNRHMERIO-XWVUVRNUSA-N; L-Alanine, N-(-2'-deoxy-2',2'-difluoro-p-1-naphthalenyl-5'-cytidylyl)-, phenylmethyl ester
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 613.5
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C29H29FN3O9P
IUPAC Name
benzyl (2S)-2-[[[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate
Canonical SMILES
C[C@@H](C(=O)OCC1=CC=CC=C1)NP(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)O)OC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C29H29FN3O9P/c1-18(28(36)39-16-19-8-3-2-4-9-19)32-43(38,42-24-13-7-11-20-10-5-6-12-21(20)24)40-17-25-23(34)14-26(41-25)33-15-22(30)27(35)31-29(33)37/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,31,35,37)/t18-,23-,25+,26+,43?/m0/s1
InChIKey
BIOWRMNRHMERIO-ZVAHOJSLSA-N
Cross-matching ID
PubChem CID
53373585
CAS Number
1332837-31-6
UNII
4YO6QT3SZ9
DrugBank ID
DB14859
TTD ID
DQ9B8C
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thymidylate synthase (TYMS) TT5FOMZ TYSY_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02723240) NUC-3373 in Advanced Solid Tumours (NuTide:301). U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of NuCana.