CANDICIDIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G01AA04
UNII 48N2IYJ202
EPA CompTox DTXSID301014435

Structure

InChI Key OPGSFDUODIJJGF-JBUZINEHSA-N
Smiles CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1
InChI
InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,47?,48?,50?,51?,53?,54+,55-,56+,57?,59?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C59H84N2O18
Molecular Weight 1109.32

Pharmacology

Mechanism of Action Action Reference
Cell membrane inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- - - - 91-95
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- - - - 91-95

Cross References

Resources Reference
CAS NUMBER 1403-17-4
ChEBI 3349
ChEMBL CHEMBL1200647
DrugBank DB01152
FDA SRS 48N2IYJ202
SureChEMBL SCHEMBL4250327
CONTENTS