Compound Detail
CHEMBL5084741
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Basic Information
| ChEMBL ID | CHEMBL5084741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FURMQZYSFFTQLK-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
461.9
MW (Da)
1.85
ALogP
6
HBA
2
HBD
129.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.36
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.36 | 6.54 | 4.4 | 3 |
| Protein cereblon/DNA damage-binding protein 1 CHEMBL4630734 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 7.28 | 7.28 | 52.0 | 1 |
| Protein cereblon/GSPT1 CHEMBL4296168 | EC50 | 6.97 | 6.97 | 108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4.4 | nM | 8.36 | Antiproliferative activity against human MHHCALL4 cells harboring CRLF2-rearrang... | 34042448 |
| Protein cereblon/DNA damage-binding protein 1 | IC50 | = | 16.0 | nM | 7.8 | Displacement of Cy5-O-Len probe from 6XHis-tagged CRBN/DDB1 (unknown origin) inc... | 34042448 |
| MV4-11 | EC50 | = | 52.0 | nM | 7.28 | Antiproliferative activity against human MV4-11 cells assessed as reduction in c... | 34042448 |
| Protein cereblon/GSPT1 | EC50 | = | 108.0 | nM | 6.97 | PROTAC activity at human CRBN/HiBiT-fused GSPT1 transfected in HEK293T cells ass... | 34042448 |
| Unchecked | EC50 | = | 1104.0 | nM | 5.96 | Antiproliferative activity against human MB004 cells harboring TP53 mutation at ... | 34042448 |
| Unchecked | EC50 | = | 5009.0 | nM | 5.3 | Antiproliferative activity against human MB002 cells harboring TP53 mutation at ... | 34042448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34042448 | 10.1021/acs.jmedchem.0c01313 | Protein cereblon/GSPT1 | 12 |
| 34042448 | 10.1021/acs.jmedchem.0c01313 | Unchecked | 9 |
| 34042448 | 10.1021/acs.jmedchem.0c01313 | ADMET | 5 |
| 34042448 | 10.1021/acs.jmedchem.0c01313 | MV4-11 | 5 |
| 34042448 | 10.1021/acs.jmedchem.0c01313 | No relevant target | 1 |
| 34042448 | 10.1021/acs.jmedchem.0c01313 | Protein cereblon/DNA damage-binding protein 1 | 1 |
Data from ChEMBL 36 via Core Engine