Details of the Drug

General Information of Drug (ID: DMY590Q)

Drug Name
Glucosamine 6-Phosphate
Synonyms
glucosamine 6-phosphate; glucosamine-6-phosphate; D-glucosamine phosphate; D-glucosamine 6-phosphate; 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose; GlcN-6-P; 1moq; Glucose-6-phosphorate; bmse000189; AC1L96WN; SCHEMBL4363568; CHEBI:15873; XHMJOUIAFHJHBW-UKFBFLRUSA-N; ZINC4097103; alpha-D-Glucosamine 6-phosphoric acid; DB02657; alpha-D-glucosamine 6-(dihydrogen phosphate); 2-amino-2-deoxy-alpha-D-glucopyranose 6-(dihydrogen phosphate); WURCS=2.0/1,1,0/[a2122h-1a_1-5_2*N_6*OPO/3O/3=O]/1/
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 259.149
Logarithm of the Partition Coefficient (xlogp) -6.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C6H14NO8P
IUPAC Name
[(2R,3S,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
Canonical SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O
InChI
InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
InChIKey
XHMJOUIAFHJHBW-UKFBFLRUSA-N
Cross-matching ID
PubChem CID
439217
ChEBI ID
CHEMBL15873
CAS Number
3616-42-0
TTD ID
D0Y8PY

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]
Molecular Interaction Atlas (MIA) 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.