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
PubChem Compound
170320
ChemSpider
148922
ChEMBL
CHEMBL2074730
Predicted Properties
PropertyValueSource
Water Solubility0.00281 mg/mLALOGPS
logP5.46ALOGPS
logP6.81Chemaxon
logS-5.3ALOGPS
pKa (Strongest Acidic)13.88Chemaxon
pKa (Strongest Basic)8.36Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area89.13 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity165.2 m3·mol-1Chemaxon
Polarizability62.25 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon