Compound Detail
CHEMBL4167274
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COC(=O)c1ccc(/C(Cl)=C/[C@@H]2C=C(C)C[C@H]3C[C@H](CC(=O)NCCc4ccc(Cl)cc4)C=C[C@]32C(=O)OC)cc1
Basic Information
| ChEMBL ID | CHEMBL4167274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGKNKOACFIAUOY-BOJQMAGNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
596.5
MW (Da)
6.77
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 homolog CHEMBL5768 | Ki | 5.08 | 5.08 | 8380.0 | 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 | = | 8380.0 | nM | 5.08 | Inhibition of FITC-Ahx-Bid-OH binding to mouse DN150/DC25 Mcl-1 after 2 hrs by f... | 29453135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29453135 | 10.1016/j.ejmech.2018.01.100 | Bcl-2-like protein 1 | 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 | Apoptosis regulator Bcl-2 | 1 |
Data from ChEMBL 36 via Core Engine