Compound Detail
CHEMBL5405801
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Nc1ncnc2c1ccn2[C@@H]1C[C@H](c2ccc3cc(CN4CCC5(CCC5)C4)[nH]c3c2)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5405801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOQRTFBODRTNCT-BUZMGHMJSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.32
ALogP
7
HBA
4
HBD
116.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
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 | 6.2 | 1 |
| N6-adenosine-methyltransferase catalytic subunit CHEMBL4739695 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| Caov-3 cell line CHEMBL614379 | IC50 | 6.6 | 6.58 | 250.0 | 2 |
| Kasumi 1 CHEMBL613988 | IC50 | 6.02 | 5.94 | 950.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| METTL3/METTL14 | IC50 | = | 6.22 | nM | 8.21 | Inhibition of full-length His-tagged METTL3/full length FLAG-tagged METTL14 (unk... | 36692498 |
| N6-adenosine-methyltransferase catalytic subunit | IC50 | = | 6.22 | nM | 8.21 | Inhibition of full length His-tagged METTL3 (unknown origin) co-expressed with f... | - |
| Caov-3 cell line | IC50 | = | 250.0 | nM | 6.6 | Antiproliferative activity against human Caov-3 cell line assessed as inhibition... | 36692498 |
| Caov-3 cell line | IC50 | = | 275.0 | nM | 6.56 | Antiproliferative activity against human Caov-3 cells incubated for 120 hrs by C... | - |
| Kasumi 1 | IC50 | = | 950.0 | nM | 6.02 | Antiproliferative activity against human Kasumi 1 cells assessed as inhibition o... | 36692498 |
| Kasumi 1 | IC50 | = | 1392.0 | nM | 5.86 | Antiproliferative activity against human Kasumi 1 cells incubated for 120 hrs by... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36692498 | 10.1021/acs.jmedchem.2c01601 | METTL3/METTL14 | 1 |
| 36692498 | 10.1021/acs.jmedchem.2c01601 | Caov-3 cell line | 1 |
| 36692498 | 10.1021/acs.jmedchem.2c01601 | Kasumi 1 | 1 |
Data from ChEMBL 36 via Core Engine