API | micafungin

micafungin (mycamine) Report issue

Small molecule Approved ^FDA Priority Review ^FDA

AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

1270.29

ALogP

Rule of 5

Rule of 3

Missing data

Details

SMILES: CCCCCOc1ccc(cc1)c2onc(c2)c3ccc(cc3)C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)[C@H](O)[C@@H](O)c7ccc(O)c(OS(=O)(=O)O)c7)[C@H](O)CC(=O)N
InChIKey: PIEUQSKUWLMALL-YABMTYFHSA-N
InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1
Chirality: Single Stereoisomer
Inorganic: No
Polymer: No

Sources

CHEMBL457547 ChEMBL
micafungin *

CHEMBL1237070 ChEMBL
micafungin sodium

R10H71BSWG NCATS
micafungin *

Micafungin Wikipedia

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