FOSBRETABULIN DISODIUM

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Salt
UNII: 702RHR475O
Parent Compound: FOSBRETABULIN

Structure
InChI Key VXNQMUVMEIGUJW-XNOMRPDFSA-L
Smile COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C18H21O8P.2Na/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;;/h5-11H,1-4H3,(H2,19,20,21);;/q;2*+1/p-2/b6-5-;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H19Na2O8P
Molecular Weight 440.3
AlogP 3.36
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 103.68
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tubulin inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 13.79

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Head and Neck Neoplasms 2 D006258 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Choroidal Neovascularization 1 D020256 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL289351
FDA SRS 702RHR475O
PubChem 6918309
SureChEMBL SCHEMBL321426
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