FLUBENTYLOSIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key FVQGMXUKQAXPIP-JLTQGABHSA-N
Smile CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OCc4ccc(F)cc4)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
InChI
InChI=1S/C53H82FNO17/c1-13-40-36(27-66-52-49(64-12)48(63-11)44(60)31(5)68-52)22-28(2)14-19-38(57)29(3)23-35(20-21-56)46(30(4)39(58)24-41(59)70-40)72-51-45(61)43(55(9)10)47(32(6)69-51)71-42-25-53(8,62)50(33(7)67-42)65-26-34-15-17-37(54)18-16-34/h14-19,21-22,29-33,35-36,39-40,42-52,58,60-62H,13,20,23-27H2,1-12H3/b19-14+,28-22+/t29-,30+,31-,32-,33+,35+,36-,39-,40-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C53H82FNO17
Molecular Weight 1024.23
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Onchocerciasis 2 D009855 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4649378
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