VINDESINE SULFATE

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Synonyms
Status
Molecule Category Salt-form
UNII CPH2U7DNDY
Parent Compound: VINDESINE

Structure

InChI Key COFJBSXICYYSKG-OAUVCNBTSA-N
Smiles CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O
InChI
InChI=1S/C43H55N5O7.H2O4S/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34-,35+,36+,39-,40+,41+,42-,43-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H57N5O11S
Molecular Weight 852.02
AlogP 2.73
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 164.82
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 55.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Friend murine leukemia virus
- - - - 80-90

Cross References

Resources Reference
ChEMBL CHEMBL3989543
FDA SRS CPH2U7DNDY
PubChem 76958180
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