Details of the Drug

General Information of Drug (ID: DMBMK4T)

Drug Name

2-Deoxy-2-Amino Glucitol-6-Phosphate

Synonyms

2-Deoxy-2-Amino Glucitol-6-Phosphate; AGP; 2-amino-2-deoxy-D-glucitol 6-phosphate; 2-amino-2-deoxy-6-O-phosphono-D-glucitol; AC1L9J4R; SCHEMBL2847976; CHEMBL396380; DB02445; 2-amino-2-deoxy-d-glucitol-6-phosphate; D-Glucitol, 2-amino-2-deoxy-, 6-(dihydrogen phosphate); [(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexyl] dihydrogen phosphate; [(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate

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)

261.17

Logarithm of the Partition Coefficient (xlogp)

-7.2

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

7

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C6H16NO8P
IUPAC Name: [(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxyhexyl] dihydrogen phosphate
Canonical SMILES: C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O
InChI: InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKey: LBNVXZROMBUNNQ-SLPGGIOYSA-N

Cross-matching ID

PubChem CID: 446113
DrugBank ID: DB02445
TTD ID: D0O1LW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Glucosamine-6-phosphate synthase (Bact glmS)	TTC67I0	GLMS_ECOLI	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.