Details of the Drug

General Information of Drug (ID: DMZLJRS)

Drug Name

5-fluoro-6-azido-UMP

Synonyms

uridine derivative, 41; CHEMBL514166; SCHEMBL15189843; BDBM27944; {[(2R,3S,4R,5R)-5-(6-azido-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

383.18

Logarithm of the Partition Coefficient (xlogp)

-2.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

12

Chemical Identifiers

Formula: C9H11FN5O9P
IUPAC Name: [(2R,3S,4R,5R)-5-(6-azido-5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N=[N+]=[N-])O)O)OP(=O)(O)O
InChI: InChI=1S/C9H11FN5O9P/c10-3-6(13-14-11)15(9(19)12-7(3)18)8-5(17)4(16)2(24-8)1-23-25(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,18,19)(H2,20,21,22)/t2-,4-,5-,8-/m1/s1
InChIKey: ARRBQQMKVQEOHQ-UMMCILCDSA-N

Cross-matching ID

PubChem CID: 16666489
TTD ID: D08OFS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Orotidine 5'-monophosphate decarboxylase (UMPS)	TTAFJUD	UMPS_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents. J Med Chem. 2009 Mar 26;52(6):1648-58.