Details of the Drug

General Information of Drug (ID: DMWXOJN)

Drug Name

TT-62

Synonyms

TEI-6170 (free acid); 2'-Deoxy-5-fluoro-5'-uridylic acid monotetradecyl ester sodium salt; 5-Fluoro-2'-deoxyuridine 5'-myristylphosphate sodium salt; 5-Fluoro-2'-deoxyuridine 5'-tetradecylphosphate sodium salt

Indication

Disease Entry	ICD 11	Status	REF
Virus infection	1A24-1D9Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

544.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

18

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C23H39FN2NaO8P
IUPAC Name: sodium;[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl tetradecyl phosphate
Canonical SMILES: CCCCCCCCCCCCCCOP(=O)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O.[Na+]
InChI: InChI=1S/C23H40FN2O8P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-32-35(30,31)33-17-20-19(27)15-21(34-20)26-16-18(24)22(28)25-23(26)29;/h16,19-21,27H,2-15,17H2,1H3,(H,30,31)(H,25,28,29);/q;+1/p-1/t19-,20+,21+;/m0./s1
InChIKey: YUGLAGAQPWTRTP-HWAJWLCKSA-M

Cross-matching ID

PubChem CID: 23663410
TTD ID: D0B6GJ

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	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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 800002433)
2	TECHNOLOGY, PRODUCTS, MARKETS AND SERVICE OPPORTUNITIES. Future Oncology. AUGUST 1995. VOLUME 1, NUMBER 4.