Elacridar hydrochlorideProduct ingredient for Elacridar
- Name
- Elacridar hydrochloride
- Drug Entry
- Elacridar
Elacridar (GW120918) is an oral bioenhancer that targets multiple drug resistance in tumors. In many cases, the appearance of multidrug resistance in cancer is due to a change in expression of protein inhibitors. As of August 2007 elacridar was not listed on GSK's product pipeline. Development is assumed to have been discontinued.
- Accession Number
- DBSALT000816
- Structure
- Synonyms
- Elacridar HCl
- UNII
- NX2BHH1A5B
- CAS Number
- 143851-98-3
- Weight
- Average: 600.104
Monoisotopic: 599.21869892 - Chemical Formula
- C34H34ClN3O5
- InChI Key
- IQOJZZHRYSSFJM-UHFFFAOYSA-N
- InChI
- InChI=1S/C34H33N3O5.ClH/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37;/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38);1H
- IUPAC Name
- N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]phenyl}-5-methoxy-9-oxo-9,10-dihydroacridine-4-carboxamide hydrochloride
- SMILES
- Cl.COC1=CC=CC2=C1NC1=C(C=CC=C1C(=O)NC1=CC=C(CCN3CCC4=CC(OC)=C(OC)C=C4C3)C=C1)C2=O
- External Links
- PubChem Compound
- 170320
- ChemSpider
- 148922
- ChEMBL
- CHEMBL2074730
- Predicted Properties
Property Value Source Water Solubility 0.00281 mg/mL ALOGPS logP 5.46 ALOGPS logP 6.81 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 13.88 Chemaxon pKa (Strongest Basic) 8.36 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 89.13 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 165.2 m3·mol-1 Chemaxon Polarizability 62.25 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon