OMACETAXINE MEPESUCCINATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01XX40
UNII 6FG8041S5B
Parent Compound:

Structure

InChI Key HYFHYPWGAURHIV-JFIAXGOJSA-N
Smiles COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4
InChI
InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H39NO9
Molecular Weight 545.63
AlogP 2.58
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 123.99
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Protein synthesis inhibitor None FDA Expert PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agrobacterium tumefaciens
- - - - -79--64
Homo sapiens
- 0.87-510 - - 50

Cross References

Resources Reference
ChEBI 71019
ChEMBL CHEMBL46286
DrugBank DB04865
DrugCentral 4677
FDA SRS 6FG8041S5B
Guide to Pharmacology 7454
PDB HMT
PubChem 285033
SureChEMBL SCHEMBL12745687
ZINC ZINC000026011099
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