Details of the Drug

General Information of Drug (ID: DM7XGJY)

Drug Name

T-506

Synonyms

2'-Deoxy-5-fluoro-3'-oleoyluridine 5'-[2-(trimethylammonio)ethyl]phosphate hydrate

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): 3

Molecular Weight (mw)

675.8

Logarithm of the Partition Coefficient (xlogp)

5.9

Rotatable Bond Count (rotbonds)

25

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C32H55FN3O9P
IUPAC Name: [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-[(E)-octadec-9-enoyl]oxyoxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate
Canonical SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OC1CC(OC1COP(=O)([O-])OCC[N+](C)(C)C)N2C=C(C(=O)NC2=O)F
InChI: InChI=1S/C32H55FN3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(37)45-27-23-29(35-24-26(33)31(38)34-32(35)39)44-28(27)25-43-46(40,41)42-22-21-36(2,3)4/h12-13,24,27-29H,5-11,14-23,25H2,1-4H3,(H-,34,38,39,40,41)/b13-12+
InChIKey: JLGWAGKPIWGUEH-OUKQBFOZSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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 800002432)
2	EP patent application no. 0831812, Methods and compositions for stimulating neurite growth.