Compound Detail
CHEMBL4646692
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CCN(c1cc(/C=C/c2cccc(CN3CCOCC3)c2)cc(C(=O)NCc2c(C)c3c([nH]c2=O)CCCC3)c1C)C1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL4646692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIPWKFVSNRFCNS-OUKQBFOZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
638.9
MW (Da)
5.81
ALogP
6
HBA
2
HBD
86.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 5.04 | 5.04 | 9230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 9230.0 | nM | 5.04 | Antiproliferative activity against human MV4-11 cells | 31959420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31959420 | 10.1016/j.bmcl.2020.126957 | Unchecked | 1 |
| 31959420 | 10.1016/j.bmcl.2020.126957 | Histone-lysine N-methyltransferase EZH2 | 1 |
| 31959420 | 10.1016/j.bmcl.2020.126957 | SUD4 | 1 |
| 31959420 | 10.1016/j.bmcl.2020.126957 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine