VINDESINE

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Synonyms
Status
Molecule Category Free-form
ATC L01CA03
UNII RSA8KO39WH

Structure

InChI Key HHJUWIANJFBDHT-ZVTSDNJWSA-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
InChI
InChI=1S/C43H55N5O7/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/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50)/t25-,34-,35+,36+,39-,40+,41+,42-,43-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H55N5O7
Molecular Weight 753.94
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(%)
Ebolavirus
- 272 - - -
Homo sapiens
- 9.5 - - -
Mus musculus
- 10-20 - - -
Rattus norvegicus
- 1-260 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL238071
DrugBank DB00309
DrugCentral 2826
FDA SRS RSA8KO39WH
PubChem 11643449
SureChEMBL SCHEMBL13524311
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