Details of the Drug

General Information of Drug (ID: DMPDQSV)

• Drug Name: Dihydrostreptomycin
• Synonyms: Dihidroestreptomicina; Dihydrostreptomycin [INN:BAN]; Dihydrostreptomycine; Dihydrostreptomycine [INN-French]; Dihydrostreptomycinum; Diidrostreptomicina; Diidrostreptomicina [DCIT]; P2I6R8W6UA; Streptomycin, dihydro-; Vibriomycin; dihydrostreptomycin; 128-46-1; Abiocine; CHEBI:38291; DHMS; N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine; UNII-P2I6R8W6UA
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 583.6
  Logarithm of the Partition Coefficient (xlogp); -8.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 13
  Hydrogen Bond Acceptor Count (hbondacc); 15
• Chemical Identifiers:
  Formula: C21H41N7O12
  IUPAC Name: 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine
  Canonical SMILES: CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O
  InChI: ASXBYYWOLISCLQ-HZYVHMACSA-N
  InChIKey: 1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1
• Cross-matching ID:
  PubChem CID: 439369
  ChEBI ID: CHEBI:38291
  CAS Number: 128-46-1
  DrugBank ID: DB11512
  INTEDE ID: DR0507

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[1]

References

• [1] Troglitazone induces CYP3A4 activity leading to falsely abnormal dexamethasone suppression test. J Clin Endocrinol Metab. 2003 Jul;88(7):3113-6.