Compound Detail
CHEMBL4176314
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(=O)c1ccc(NC(=O)OCC[C@@H]2C=C[C@]3(C(=O)O)[C@@H](CC(C)=C[C@H]3/C=C(\Cl)c3ccc(C(=O)O)cc3)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL4176314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZKYZUOJBSZVJQ-MFWMJVLBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
578.1
MW (Da)
7.04
ALogP
5
HBA
3
HBD
130.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 homolog CHEMBL5768 | Ki | 5.82 | 5.82 | 1520.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 5.72 | 5.72 | 1910.0 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 5.54 | 5.54 | 2920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 homolog | Ki | = | 1520.0 | nM | 5.82 | Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by f... | 29453135 |
| Bcl-2-like protein 1 | Ki | = | 1910.0 | nM | 5.72 | Inhibition of FITC-AhxBak-OH binding to human 45-84/C37 Bcl-xL after 2 hrs by fl... | 29453135 |
| Apoptosis regulator Bcl-2 | Ki | = | 2920.0 | nM | 5.54 | Inhibition of FITC-Ahx-Bim-OH binding to human Bcl2 isoform 2 after 2 hrs by flu... | 29453135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29453135 | 10.1016/j.ejmech.2018.01.100 | Apoptosis regulator Bcl-2 | 1 |
| 29453135 | 10.1016/j.ejmech.2018.01.100 | Induced myeloid leukemia cell differentiation protein Mcl-1 homolog | 1 |
| 29453135 | 10.1016/j.ejmech.2018.01.100 | Bcl-2-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine