VERUBULIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: X97O9FTB92

Structure
InChI Key SNHCRNMVYDHVDT-UHFFFAOYSA-N
Smile COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChI
InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17N3O
Molecular Weight 279.34
AlogP 3.71
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 38.25
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
DISRUPTING AGENT Tubulin disrupting agent PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 3 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 6 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 8 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glioblastoma 2 D005909 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 827031-83-4
ChEMBL CHEMBL492399
DrugBank DB05585
FDA SRS X97O9FTB92
PDB 88U
PubChem 11414799
SureChEMBL SCHEMBL2232326
ZINC ZINC000035978229
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