Compound Detail
CHEMBL5556978
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Cn1cc(-c2ccn3c(-c4cccc(N5CCN(C(=O)OC(C)(C)C)CC5)n4)cnc3c2)cn1
Basic Information
| ChEMBL ID | CHEMBL5556978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOHNAUADAFQBIB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
3.85
ALogP
8
HBA
0
HBD
80.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-14 CHEMBL3706570 | IC50 | 7.29 | 6.66 | 51.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-14 | IC50 | = | 51.86 | nM | 7.29 | Antiproliferative activity against human MOLM-14 cells assessed as inhibition of... | 38056299 |
| MOLM-14 | IC50 | = | 259.3 | nM | 6.59 | Antiproliferative activity against human MOLM-14 cells harboring FLT3-D835Y muta... | 38056299 |
| MOLM-14 | IC50 | = | 794.4 | nM | 6.1 | Antiproliferative activity against human MOLM-14 cells harboring FLT3-F691L muta... | 38056299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38056299 | 10.1016/j.ejmech.2023.115977 | MOLM-14 | 3 |
| 38056299 | 10.1016/j.ejmech.2023.115977 | K562 | 1 |
Data from ChEMBL 36 via Core Engine