Compound Detail
CHEMBL5792786
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Cc1c(Cl)c2c(Cl)c(C)c1-c1c(-c3ccc(F)cc3)sc3ncnc(c13)O[C@@H](C(=O)O)Cc1cc(ccc1OCc1ccnc(C3COCCOC3)n1)OC[C@@H](CN1CCN(C)CC1)O2
Basic Information
| ChEMBL ID | CHEMBL5792786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWBJIKJRSYPDHV-QZCRLSDHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
945.9
MW (Da)
8.05
ALogP
14
HBA
1
HBD
150.7
PSA (Ų)
0.16
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 10.82 | 10.31 | 0.0 | 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 | = | 0.015 | nM | 10.82 | Exemplary MCL-1 Inhibitors Bind MCL-1: The ability of the exemplary MCL-1 inhibi... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 0.16 | nM | 9.8 | Exemplary MCL-1 Inhibitors Bind MCL-1 in the presence of 10% HS: The ability of ... | - |
Data from ChEMBL 36 via Core Engine