Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C26H33NO5 |
Molecular Weight | 439.5439 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C1=CC=C(COC(=O)N2CCC[C@H](C2)C3=CC=CC(OC(C)(C)C(O)=O)=C3)C=C1
InChI
InChIKey=CSLFIHDRJSTULR-JOCHJYFZSA-N
InChI=1S/C26H33NO5/c1-18(2)20-12-10-19(11-13-20)17-31-25(30)27-14-6-8-22(16-27)21-7-5-9-23(15-21)32-26(3,4)24(28)29/h5,7,9-13,15,18,22H,6,8,14,16-17H2,1-4H3,(H,28,29)/t22-/m1/s1
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL239 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18971326 |
10.8 nM [Ki] | ||
Target ID: CHEMBL235 Sources: https://www.ncbi.nlm.nih.gov/pubmed/18971326 |
3.47 µM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18971326
Mice: 0.3, 1.0 and 3.0 mg/kg once daily for 2 days
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25312469
CP-868388 (hit rate = 0.48%), has statistically ‘‘well-fit’’ curves (0.7 < Hill coefficient < 1.3 and r2 > 0.90) with a Ki value of 1.18 ± 0.212 uM for b-catenin/BCL9 interactions and excellent reproducibility in the triplicate runs. This compound exhibits 44-fold selectivity for b-catenin/BCL9 over b-catenin/E-cadherin interactions. However, the cell-based study indicated that this compound had an IC50 value of >100 mM in the Wnt/b-catenin specific luciferase reporter assay.
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ACTIVE MOIETY