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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
CAS Number: 827031-83-4
DrugBank ID: DB05585
TTD ID: D09BOH

Repurposed Drugs (RPD)

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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.