Compound Detail
CHEMBL5555963
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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(-c3ccc(OC[C@@H]4COCCO4)cc3)n1)OC[C@@H](CN1CCN(C)CC1)O2
Basic Information
| ChEMBL ID | CHEMBL5555963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOMNURVTAHAEBQ-JOVQOBAQSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
1038.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.8
Ki 3 meas. best 10.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 10.44 | 9.74 | 0.0 | 2 |
| AMO1 CHEMBL4523558 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
| NCI-H929 CHEMBL4296391 | EC50 | 9.33 | 9.33 | 0.5 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 8.41 | 8.41 | 3.9 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 6.22 | 6.22 | 599.0 | 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 | = | 0.036 | nM | 10.44 | Exemplary MCL-1 Inhibitors Bind MCL-1: The ability of the exemplary MCL-1 inhibi... | - |
| AMO1 | EC50 | = | 0.16 | nM | 9.8 | Antiproliferative activity against human AMO1 cells assessed as reduction in cel... | 38597264 |
| NCI-H929 | EC50 | = | 0.47 | nM | 9.33 | Antiproliferative activity against human NCI-H929 cells assessed as reduction in... | 38597264 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 0.92 | nM | 9.04 | Exemplary MCL-1 Inhibitors Bind MCL-1 in the presence of 10% HS: The ability of ... | - |
| MV4-11 | EC50 | = | 3.91 | nM | 8.41 | Antiproliferative activity against human MV4-11 cells assessed as reduction in c... | 38597264 |
| Apoptosis regulator Bcl-2 | Ki | = | 599.0 | nM | 6.22 | Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant | 38597264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38597264 | 10.1021/acs.jmedchem.3c01998 | AMO1 | 2 |
| 38597264 | 10.1021/acs.jmedchem.3c01998 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 38597264 | 10.1021/acs.jmedchem.3c01998 | Apoptosis regulator Bcl-2 | 1 |
| 38597264 | 10.1021/acs.jmedchem.3c01998 | Bcl-2-like protein 1 | 1 |
| 38597264 | 10.1021/acs.jmedchem.3c01998 | Bcl-2-like protein 2 | 1 |
| 38597264 | 10.1021/acs.jmedchem.3c01998 | Bcl-2-related protein A1 | 1 |
| 38597264 | 10.1021/acs.jmedchem.3c01998 | NCI-H929 | 1 |
| 38597264 | 10.1021/acs.jmedchem.3c01998 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine