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]
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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
TTD ID: DQ9B8C

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.