Zosuquidar trihydrochlorideProduct ingredient for Zosuquidar
- Name
- Zosuquidar trihydrochloride
- Drug Entry
- Zosuquidar
Zosuquidar is a compound of antineoplastic drug candidates currently under development. It is now in "Phase 3" of clinical tests in the United States. Its action mechanism consists of the inhibition of P-glycoproteins; other drugs with this mechanism include tariquidar and laniquidar.
- Accession Number
- DBSALT000558
- Structure
Structure for Zosuquidar trihydrochloride (DBSALT000558)
- Synonyms
- Zosuquidar triHCl
- UNII
- 813AGY3126
- CAS Number
- 167465-36-3
- Weight
- Average: 636.99
Monoisotopic: 635.1684668 - Chemical Formula
- C32H34Cl3F2N3O2
- InChI Key
- ZPFVQKPWGDRLHL-WITOOOCMSA-N
- InChI
- InChI=1S/C32H31F2N3O2.3ClH/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27;;;/h1-14,21,29-31,38H,15-20H2;3*1H/t21-,29-,30+,31-;;;/m1.../s1
- IUPAC Name
- (2R)-1-{4-[(2R,4S,11R)-3,3-difluorotetracyclo[10.4.0.0^{2,4}.0^{5,10}]hexadeca-1(16),5,7,9,12,14-hexaen-11-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol trihydrochloride
- SMILES
- Cl.Cl.Cl.[H][C@]12C3=CC=CC=C3[C@H](N3CCN(C[C@@H](O)COC4=CC=CC5=C4C=CC=N5)CC3)C3=CC=CC=C3[C@@]1([H])C2(F)F
- External Links
- PubChem Compound
- 153997
- ChemSpider
- 24746412
- ChEMBL
- CHEMBL2074689
- Wikipedia
- Zosuquidar
- Predicted Properties
Property Value Source Water Solubility 0.00974 mg/mL ALOGPS logP 5.17 ALOGPS logP 4.82 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 14.08 Chemaxon pKa (Strongest Basic) 7.63 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 48.83 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 146.68 m3·mol-1 Chemaxon Polarizability 55.73 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon