Details of the Drug

General Information of Drug (ID: DMBQC3L)

Drug Name
Verubulin
Synonyms
Azixa; Verubulin hydrochloride; EP-128495; MPC-6827; Apoptosis inducer (cancer), Myriad; Caspase inducer (cancer), Myriad; Cell cycle arrest inducer (cancer), Myriad; Tubulin inhibitor (cancer), Myriad
Indication
Disease Entry ICD 11 Status REF
Brain metastases 2D50 Phase 2 [1]
Glioblastoma multiforme 2A00.0 Phase 2 [2]
Recurrent glioblastoma 2A00.00 Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 2 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 279.34
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H17N3O
IUPAC Name
N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
Canonical SMILES
CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC
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
InChIKey
SNHCRNMVYDHVDT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11414799
ChEBI ID
CHEMBL492399
CAS Number
827031-83-4
UNII
X97O9FTB92
DrugBank ID
DB05585
TTD ID
D09BOH
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tubulin beta (TUBB) TTYFKSZ NOUNIPROTAC Modulator [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 ClinicalTrials.gov (NCT01285414) Verubulin, Radiation Therapy, and Temozolomide to Treat Patients With Newly Diagnosed Glioblastoma Multiforme. U.S. National Institutes of Health.
4 Effects of the tumor-vasculature-disrupting agent verubulin and two heteroaryl analogues on cancer cells, endothelial cells, and blood vessels.ChemMedChem.2014 Apr;9(4):847-54.