Bioactive Compound Details

BioIDbio199055
Name2-ANTHRACENE CARBOXYLIC ACID POLYMIXIN B
ChEMBL IDCHEMBL1089259
Molecular FormulaC58H88N16O13
Molecular Weight1217.44
Molecular Weight (Monoisotopic)1216.6717
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesCC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)c2ccc3ccccc3c2)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O
InchiInChI=1S/C58H88N16O13/c1-31(2)28-44-55(84)68-38(16-22-59)49(78)67-42(20-26-63)54(83)73-46(32(3)75)57(86)64-27-21-43(52(81)66-39(17-23-60)51(80)72-45(56(85)71-44)29-34-10-6-5-7-11-34)69-50(79)40(18-24-61)70-58(87)47(33(4)76)74-53(82)41(19-25-62)65-48(77)37-15-14-35-12-8-9-13-36(35)30-37/h5-15,30-33,38-47,75-76H,16-29,59-63H2,1-4H3,(H,64,86)(H,65,77)(H,66,81)(H,67,78)(H,68,84)(H,69,79)(H,70,87)(H,71,85)(H,72,80)(H,73,83)(H,74,82)/t32-,33-,38+,39+,40+,41+,42+,43+,44+,45-,46+,47+/m1/s1
Inchi KeyOWEVDKHOWNYOMG-QAMAFEPXSA-N
Molecular SpeciesNone
Targets3.0
Bioactivities3.0
Np Likeness ScoreNone
Records Key['68']
Records Name['2-anthracene carboxylic acid Polymixin B']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure