General Information of Drug (ID: DMZ8OMT)

Drug Name
DACTIMICIN
Synonyms
SF-2052; 4-Amino-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-1-[(N-formimidoylglycyl)methylamino]-6-O-methyl-L-chiro-inositol; 4-Amino-1,4-dideoxy-3-O-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-L-lyxo-heptopyranosyl)-1-[[[(iminomethyl)amino]acetyl]methylamino]-6-O-methyl-L-chiro-inositol
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 432.5
Logarithm of the Partition Coefficient (xlogp) -4.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C18H36N6O6
IUPAC Name
N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide
Canonical SMILES
CC(C1CCC(C(O1)OC2C(C(C(C(C2O)N(C)C(=O)CN=CN)OC)O)N)N)N
InChI
InChI=1S/C18H36N6O6/c1-8(20)10-5-4-9(21)18(29-10)30-16-12(22)14(26)17(28-3)13(15(16)27)24(2)11(25)6-23-7-19/h7-10,12-18,26-27H,4-6,20-22H2,1-3H3,(H2,19,23)
InChIKey
VFBPKQSATYZKRX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
107800
CAS Number
73196-97-1
TTD ID
D07TNU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial 30S ribosomal RNA (Bact 30S rRNA) TTOVFH2 NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000500)
2 Aminoglycosides: Activity and Resistance. Antimicrob Agents Chemother. 1999 April; 43(4): 727-737.