Compound Detail
CHEMBL4073321
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CN(C)C(=O)c1ccc2c(c1)OC[C@H](N1CCc3c(nn(Cc4ccccc4)c3Cl)C1=O)C(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL4073321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIVJIBQHKAOPLX-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
508.0
MW (Da)
2.71
ALogP
6
HBA
0
HBD
88.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | Ki | 8.46 | 8.46 | 3.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 1 | Ki | = | 3.467 | nM | 8.46 | Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluo... | 29485864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29485864 | 10.1021/acs.jmedchem.7b01647 | Receptor-interacting serine/threonine-protein kinase 1 | 4 |
| 29485864 | 10.1021/acs.jmedchem.7b01647 | Liver | 2 |
| 29485864 | 10.1021/acs.jmedchem.7b01647 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine