Compound Detail
CHEMBL5592221
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O=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCN(Cc6ccc(NC(=O)c7n[nH]cc7Nc7ncnc8[nH]ccc78)cc6)CC5)CC4)cc3C2=O)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL5592221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEZDLCVCOOEQEF-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
770.9
MW (Da)
3.11
ALogP
12
HBA
5
HBD
204.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Kasumi 1 CHEMBL613988 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| NB-4 CHEMBL614188 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| HL-60 CHEMBL383 | IC50 | 7.98 | 7.98 | 10.5 | 1 |
| OCI-AML2 CHEMBL2366220 | IC50 | 7.75 | 7.75 | 17.9 | 1 |
| THP-1 CHEMBL614245 | IC50 | 7.43 | 7.43 | 37.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 2.9 | nM | 8.54 | Antiproliferative activity against human MV4-11 cells measured after 1 to 3 days... | 38878515 |
| Kasumi 1 | IC50 | = | 3.99 | nM | 8.4 | Antiproliferative activity against human Kasumi 1 cells measured after 1 to 3 da... | 38878515 |
| MOLM-13 | IC50 | = | 4.52 | nM | 8.35 | Antiproliferative activity against human MOLM-13 cells measured after 1 to 3 day... | 38878515 |
| NB-4 | IC50 | = | 4.94 | nM | 8.31 | Antiproliferative activity against human NB4 cells measured after 1 to 3 days by... | 38878515 |
| HL-60 | IC50 | = | 10.49 | nM | 7.98 | Antiproliferative activity against human HL-60 cells measured after 1 to 3 days ... | 38878515 |
| OCI-AML2 | IC50 | = | 17.85 | nM | 7.75 | Antiproliferative activity against human OCI-AML2 cells measured after 1 to 3 da... | 38878515 |
| THP-1 | IC50 | = | 37.08 | nM | 7.43 | Antiproliferative activity against human THP-1 cells measured after 1 to 3 days ... | 38878515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38878515 | 10.1016/j.ejmech.2024.116539 | Protein cereblon/Cyclin-dependent kinase 2 | 13 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | HL-60 | 12 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | Protein cereblon/Cyclin-dependent kinase 4 | 4 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | Protein cereblon/Cyclin-dependent kinase 6 | 4 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | Protein cereblon/CDK9 | 4 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | Protein cereblon/Tyrosine-protein kinase receptor FLT3 | 4 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | Protein cereblon/Cyclin-dependent kinase 1 | 4 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | Protein cereblon/Cyclin-dependent-like kinase 5 | 4 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | MV4-11 | 1 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | THP-1 | 1 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | Kasumi 1 | 1 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | MOLM-13 | 1 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | NB-4 | 1 |
| 38878515 | 10.1016/j.ejmech.2024.116539 | OCI-AML2 | 1 |
Data from ChEMBL 36 via Core Engine