Compound Detail
CHEMBL5826024
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COc1ccccc1-c1nccc(COc2ccc3cc2C[C@H](C(=O)O)Oc2ncnc4sc(C[C@@H]5COCCO5)c(c24)-c2c(C)c(Cl)c(c(Cl)c2C)O[C@H](CN2CCN(C)CC2)CO3)n1
Basic Information
| ChEMBL ID | CHEMBL5826024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | METSGICPNWVTFM-XXUJLVSLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
957.9
MW (Da)
7.75
ALogP
15
HBA
1
HBD
159.9
PSA (Ų)
0.14
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 9.96 | 9.79 | 0.1 | 2 |
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 | = | 0.111 | nM | 9.96 | Exemplary MCL-1 Inhibitors Bind MCL-1: The ability of the exemplary MCL-1 inhibi... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 0.24 | nM | 9.62 | Exemplary MCL-1 Inhibitors Bind MCL-1 in the presence of 10% HS: The ability of ... | - |
Data from ChEMBL 36 via Core Engine