Compound Detail
CHEMBL5091295
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CC(NCc1cc2ccc(CNC(=O)c3cc(=O)n4ccccc4n3)cc2[nH]1)C12CC(F)(C1)C2
Basic Information
| ChEMBL ID | CHEMBL5091295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUORQJPNKZSTOG-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
3.48
ALogP
5
HBA
3
HBD
91.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| METTL3/METTL14 CHEMBL4106140 | IC50 | 8.21 | 8.21 | 6.1 | 2 |
| Caov-3 cell line CHEMBL614379 | IC50 | 6.69 | 6.69 | 203.4 | 1 |
| Kasumi 1 CHEMBL613988 | IC50 | 6.35 | 6.35 | 446.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| METTL3/METTL14 | IC50 | = | 6.1 | nM | 8.21 | Inhibition of full-length His-tagged METTL3 (unknown origin) coexpressed with fu... | - |
| METTL3/METTL14 | IC50 | = | 6.1 | nM | 8.21 | Inhibition of full-length His-tagged METTL3/full length FLAG-tagged METTL14 (unk... | 36692498 |
| Caov-3 cell line | IC50 | = | 203.4 | nM | 6.69 | Antiproliferative activity against human Caov-3 cells measured after 120 hrs by ... | - |
| Kasumi 1 | IC50 | = | 446.9 | nM | 6.35 | Antiproliferative activity against human Kasumi 1 cells measured after 120 hrs b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36692498 | 10.1021/acs.jmedchem.2c01601 | METTL3/METTL14 | 1 |
Data from ChEMBL 36 via Core Engine