Compound Detail
CHEMBL5410561
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Basic Information
| ChEMBL ID | CHEMBL5410561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULRNUNOJTSHKGR-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
2.25
ALogP
7
HBA
2
HBD
92.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 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 | 1 |
| N6-adenosine-methyltransferase catalytic subunit CHEMBL4739695 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
| Caov-3 cell line CHEMBL614379 | IC50 | 6.61 | 6.61 | 248.0 | 2 |
| MOLM-13 CHEMBL3706572 | IC50 | 6.18 | 6.18 | 657.0 | 2 |
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/full length FLAG-tagged METTL14 (unk... | 36692498 |
| N6-adenosine-methyltransferase catalytic subunit | IC50 | = | 6.1 | nM | 8.21 | Inhibition of full length His-tagged METTL3 (unknown origin) co-expressed with f... | - |
| Caov-3 cell line | IC50 | = | 248.0 | nM | 6.61 | Antiproliferative activity against human Caov-3 cell line assessed as inhibition... | 36692498 |
| Caov-3 cell line | IC50 | = | 248.0 | nM | 6.61 | Antiproliferative activity against human Caov-3 cells incubated for 120 hrs by C... | - |
| MOLM-13 | IC50 | = | 657.0 | nM | 6.18 | Antiproliferative activity against human MOLM-13 cells assessed as inhibition of... | 36692498 |
| MOLM-13 | IC50 | = | 657.4 | nM | 6.18 | Antiproliferative activity against human MOLM-13 cells incubated for 6 days by C... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36692498 | 10.1021/acs.jmedchem.2c01601 | METTL3/METTL14 | 1 |
| 36692498 | 10.1021/acs.jmedchem.2c01601 | MOLM-13 | 1 |
| 36692498 | 10.1021/acs.jmedchem.2c01601 | Caov-3 cell line | 1 |
Data from ChEMBL 36 via Core Engine