Compound ID | 135

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Dalbavancin

Synonym(s): Dalvance

Class: Glycopeptide

Agent Type: Semisynthetic; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Cell wall synthesis inhibitor
Target Pathogen: Active against Gram-positives causing acute bacterial skin and skin structure infections (ABSSSI) and community-acquired bacterial pneumonia
Description: Semisynthetic derivative of teicoplanin; Dalbavancin: Phase I single and multiple-dose placebo controlled intravenous safety, pharmacokinetic study in healthy volunteers. 41st ICAAC By: Leighton, A.; Mrosczcak, E.; White, R.; et al.
Institute where first reported: Actavis (formerly Durata Therapeutics), UK
Year first mentioned: 2001
Highest development stage: Approved by FDA in 2014
Development status: Approved
Chemical structure(s):
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Molecular weight: 1816.7
Iso. SMILES: CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]%10C%11=C(C(=CC(=C%11)OC%12=C(C=CC(=C%12)[C@H](C(=O)N[C@H](CC%13=CC=C(O3)C=C%13)C(=O)N%10)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O
InChI Key: KGPGQDLTDHGEGT-SZUNQUCBSA-N
Can. SMILES: CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](C(=O)O)O[C@H]1OC2=C3C=C4C=C2OC5=CC=C(C=C5)C[C@@H]6C(=O)N[C@@H](C7=CC(=CC(=C7Cl)O)OC8=CC(=CC=C8O)[C@H](C(=O)N6)NC)C(=O)N[C@H]4C(=O)N[C@@H]9C%10=CC=C(C(=C%10)C%11=C(C=C(C=C%11[C@@H](C(=O)NCCCN(C)C)NC(=O)[C@H]([C@@H](C%12=CC=C(C(=C%12)Cl)O3)O)NC9=O)O)O[C@@H]%13[C@H]([C@H]([C@@H]([C@@H](CO)O%13)O)O)O)O)O)O
InChI: InChI=1S/C88H100Cl2N10O28/c1-38(2)13-10-8-6-7-9-11-14-61(106)94-70-73(109)75(111)78(86(120)121)128-87(70)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)69-85(119)98-67(80(114)92-25-12-26-100(4)5)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)65(82(116)99-69)95-83(117)66(43)96-84(118)68-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)64(91-3)81(115)93-51(79(113)97-68)27-39-15-20-45(122-58)21-16-39/h15-24,28-36,38,51,60,64-76,78,87-88,91,101-105,107-112H,6-14,25-27,37H2,1-5H3,(H,92,114)(H,93,115)(H,94,106)(H,95,117)(H,96,118)(H,97,113)(H,98,119)(H,99,116)(H,120,121)/t51-,60-,64-,65-,66-,67+,68+,69+,70-,71-,72-,73-,74+,75+,76+,78+,87-,88+/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/16134627
Guide to Pharmacology: dalbavancin
Citations:
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1890846/pdf/ijcp0061-0853.pdf
  • https://doi.org/10.1007/s40121-015-0077-7

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