Verubulin hydrochlorideProduct ingredient for Verubulin
- Name
- Verubulin hydrochloride
- Drug Entry
- Verubulin
Antineoplastic; a small-molecule inhibitor of microtubule formation that is not a substrate for multidrug resistance pumps.
- Accession Number
- DBSALT002603
- Structure
Structure for Verubulin hydrochloride (DBSALT002603)
- Synonyms
- N-(4-methoxyphenyl)-n,2-dimethylquinazolin-4-amine hydrochloride / Verubulin HCl
- External IDs
- MPC 6827 / MPC-6827
- UNII
- 33380QZ0QW
- CAS Number
- 917369-31-4
- Weight
- Average: 315.8
Monoisotopic: 315.1138399 - Chemical Formula
- C17H18ClN3O
- InChI Key
- VYUWDIKZJLOZJL-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H17N3O.ClH/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;1H
- IUPAC Name
- N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine hydrochloride
- SMILES
- Cl.COC1=CC=C(C=C1)N(C)C1=NC(C)=NC2=C1C=CC=C2
- External Links
- ChemSpider
- 9812997
- ChEMBL
- CHEMBL2105697
- Predicted Properties
Property Value Source Water Solubility 0.0641 mg/mL ALOGPS logP 3.8 ALOGPS logP 3.91 Chemaxon logS -3.6 ALOGPS pKa (Strongest Basic) 4.94 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.25 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 83.58 m3·mol-1 Chemaxon Polarizability 31.04 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon