Compound Detail
CHEMBL5527907
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N#Cc1ccc(N2CC(CN3CCC(n4cc(-c5ccc(F)cc5)c5c(N)ncnc54)CC3)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL5527907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDVWOCJIBVEFQH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.46
ALogP
7
HBA
1
HBD
87.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.42
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Menin | IC50 | = | 380.0 | nM | 6.42 | Binding affinity to menin (unknown origin) incubated for 1 hr by fluorescence po... | 38367493 |
| MV4-11 | IC50 | = | 1070.0 | nM | 5.97 | Antiproliferative activity against human MV4-11 cells incubated for 72 hrs by MT... | 38367493 |
| SU-DHL-6 | IC50 | = | 6870.0 | nM | 5.16 | Antiproliferative activity against human SU-DHL-6 cells incubated for 72 hrs by ... | 38367493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38367493 | 10.1016/j.ejmech.2024.116226 | MV4-11 | 24 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | Menin | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | HL-60 | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | SU-DHL-6 | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | Pfeiffer | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | Raji | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | Ramos | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | HCT-116 | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | MCF7 | 1 |
| 38367493 | 10.1016/j.ejmech.2024.116226 | NCM460 | 1 |
Data from ChEMBL 36 via Core Engine