LTX-109

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Synonyms
Status
Molecule Category Free-form
UNII HO813QDF65
EPA CompTox DTXSID20151467

Structure

InChI Key ZVOYWSKEBVVLGW-ZDCRTTOTSA-N
Smiles CC(C)(C)c1cc(C(C)(C)C)c2[nH]c(C(C)(C)C)c(C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCc3ccccc3)c2c1
InChI
InChI=1S/C43H69N11O3/c1-41(2,3)27-23-28-29(35(43(7,8)9)54-34(28)30(24-27)42(4,5)6)25-33(53-36(55)31(44)17-13-20-50-39(45)46)38(57)52-32(18-14-21-51-40(47)48)37(56)49-22-19-26-15-11-10-12-16-26/h10-12,15-16,23-24,31-33,54H,13-14,17-22,25,44H2,1-9H3,(H,49,56)(H,52,57)(H,53,55)(H4,45,46,50)(H4,47,48,51)/t31-,32-,33-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H69N11O3
Molecular Weight 788.1
AlogP 3.79
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 18.0
Polar Surface Area 252.91
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 57.0

Pharmacology

Mechanism of Action Action Reference
Cell membrane disrupting agent DISRUPTING AGENT PubMed PubMed PubMed

Cross References

Resources Reference
ChEBI 77752
ChEMBL CHEMBL1817968
DrugBank DB12711
FDA SRS HO813QDF65
PubChem 25242323
SureChEMBL SCHEMBL19712240
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