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
CAS NUMBER 1404-90-6
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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