Compound Detail
CHEMBL5556071
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Cc1noc(C)c1-c1ccc2c(c1)nc([C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1)n2C1CCN(CC(=O)NCC2CCN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5556071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHPUOXVZJVKPQK-KLBOFATRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
916.0
MW (Da)
5.92
ALogP
12
HBA
2
HBD
183.3
PSA (Ų)
0.16
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 6.01 | 6.01 | 980.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 980.1 | nM | 6.01 | Antiproliferative activity against human MV4-11 cells incubated for 120 hrs by C... | 38649304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38649304 | 10.1021/acs.jmedchem.3c02195 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine