Compound Detail
CHEMBL4071224
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Cc1cc(OCCCn2c(C(=O)N3CCCCC3)cc3ccc(OCc4ccccc4C(=O)O)cc32)cc(C)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4071224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCLWBHSWYDTQJD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
575.1
MW (Da)
7.28
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.57 | 6.57 | 270.0 | 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 | Ki | = | 200.0 | nM | 6.7 | Inhibition of 6-carboxyfluorescein succinimidyl ester fluorescence tagged-Bid BH... | 28343875 |
| Apoptosis regulator Bcl-2 | Ki | = | 270.0 | nM | 6.57 | Inhibition of 6-carboxyfluorescein succinimidyl ester fluorescence tagged-Bid BH... | 28343875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28343875 | 10.1016/j.bmcl.2017.03.028 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 28343875 | 10.1016/j.bmcl.2017.03.028 | Apoptosis regulator Bcl-2 | 1 |
Data from ChEMBL 36 via Core Engine