Details of the Drug

General Information of Drug (ID: DMY9FDT)

Drug Name

2'-Deoxyguanosine-5'-Monophosphate

Synonyms

Deoxyguanylic acid; Deoxy-GMP; 2'-Deoxyguanylic acid; Deoxyguanylate; Deoxyguanosine 5'-monophosphate; dGMP; 2'-Deoxy-GMP; 2'-dGMP; Deoxyguanosine monophosphate; Deoxyguanosine 5'-phosphate; 2'-Deoxyguanosine 5'-phosphate; 2'-Deoxy-5'-guanylic acid; 2'-deoxyguanosine 5'-monophosphate; 5'-DGMP; 5'-Deoxyguanylic acid; Deoxy GMP; 2'-Deoxyguanosine 5'MP; 902-04-5; deoxyguanosine-phosphate; 5'-Guanylic acid, 2'-deoxy-; 2'-dG-5'-MP; 2'-Deoxy-5'-GMP; UNII-7EAM4TG712; 2'-Deoxyguanosine 5'-phosphoric; 5'-dGMP

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): 1

Molecular Weight (mw)

347.22

Logarithm of the Partition Coefficient (xlogp)

-3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H14N5O7P
IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O
InChI: InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKey: LTFMZDNNPPEQNG-KVQBGUIXSA-N

Cross-matching ID

PubChem CID: 135398597
ChEBI ID: CHEBI:16192
CAS Number: 902-04-5
DrugBank ID: DB04457
TTD ID: D0G9XX

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	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5122).
2	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.