VANCOMYCIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC A07AA09 J01XA01 S01AA28
UNII 6Q205EH1VU
EPA CompTox DTXSID0042664

Structure

InChI Key MYPYJXKWCTUITO-LYRMYLQWSA-N
Smiles CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
InChI
InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C66H75Cl2N9O24
Molecular Weight 1449.27

Pharmacology

Mechanism of Action Action Reference
Peptidoglycan inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 50.12-125.89 -
Other cytosolic protein
- - - - 99.7
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 15.85-50.12 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 7.1
Unclassified protein
- - - - 30-30
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bacillus subtilis
- - - - 50-50
Enterococcus faecalis
- - - - 0.4-100
Enterococcus faecium
600 - - - 0.1-97.8
Escherichia coli
- 40 - - -
Homo sapiens
- - - 50.12 7.1
Listeria monocytogenes
- - - - 100-100
Rattus norvegicus
- - - 15.85-50.12 -
Salmonella enterica subsp. enterica serovar Typhimurium
- - - - 50-50
Staphylococcus aureus
520-670 0.4-910 - - 7.7-100
Staphylococcus aureus subsp. aureus Mu50
- - - - 30-30
Staphylococcus epidermidis
- - - - 50-50
Streptococcus pneumoniae
- 120-150 - - 100-100
Streptococcus pyogenes
- - - - 100-100
Streptococcus sp.
- - - - 97.1-100
Streptococcus sp. 'group A'
- - - - 98.8-100
Streptococcus sp. 'group B'
- - - - 90.3-100
Streptococcus sp. 'group C'
- - - - 99.4-100
Streptococcus sp. 'group G'
- - - - 95.6-100

Related Entries

Cross References

Resources Reference
ChEBI 28001
ChEMBL CHEMBL262777
DrugBank DB00512
DrugCentral 2807
FDA SRS 6Q205EH1VU
Human Metabolome Database HMDB0014653
Guide to Pharmacology 10932
PharmGKB PA451850
PubChem 14969
SureChEMBL SCHEMBL3177
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