Details of the Drug

General Information of Drug (ID: DM20R5F)

• Drug Name: Spiramycin
• Synonyms: spiramycin; 8025-81-8; ST075006; Spiramycinum; Spiramycine; Provamycin; Sequamycin; Espiramicin; Rovamycin; Antibiotic 799; NSC-64393; RP 5337; Rovamycine; Prestwick_121; 5337 R.P.; Prestwick2_000745; Prestwick3_000745; AC1O4WG0; Spiramycin antibiotic complex; BPBio1_000804; SCHEMBL5032756; AKOS015896378; K430; SR-01000872632; SR-01000872632-1; I06-1973; Spiramycin, European Pharmacopoeia (EP) Reference Standard; Spiramycin from Streptomyces sp., VETRANAL(TM), analytical standard; Spiramycin, Pharmaceutical Secondary Standard

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Approved	[1]

• Affected Organisms: BacteriaStreptococcus pyogenesCorynebacterium diphtheriaeHaemophilus influenzaeStreptococcus viridansBacteria and protozoa
• ATC Code:
  J01FA02: Spiramycin
  J01FA: Macrolides
  J01F: MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
  J01: ANTIBACTERIALS FOR SYSTEMIC USE
  J: ANTIINFECTIVES FOR SYSTEMIC USE
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 843.1
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 16
• ADMET Property:
  Clearance: The drug present in the plasma can be removed from the body at the rate of 12.8 mL/min/kg [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 4.5 - 6.2 hours (young person aged from 18 - 32), 9.8 - 13.5 hours (Elderly persons aged from 73 - 85) [2]
  Metabolism: The drug is metabolized via the liver []
  Unbound Fraction: The unbound fraction of drug in plasma is 0.26% [2]
  Vd: The volume of distribution (Vd) of drug is 300 L []
• Chemical Identifiers:
  Formula: C43H74N2O14
  IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  Canonical SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C
  InChI: InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1
  InChIKey: ACTOXUHEUCPTEW-JMRHEKERSA-N
• Cross-matching ID:
  PubChem CID: 6419898
  CAS Number: 8025-81-8
  UNII: 033ECH6IFG
  DrugBank ID: DB06145
  TTD ID: D0F5OR
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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial 23S ribosomal RNA (Bact 23S rRNA)	TTLFGBV	NOUNIPROTAC	Binder	[3]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [3] The apicoplast as an antimalarial drug target. Drug Resist Updat. 2001 Jun;4(3):145-51.