Compound Detail
CHEMBL4464023
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Basic Information
| ChEMBL ID | CHEMBL4464023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLAXMYKSWGIJKU-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
5.04
ALogP
6
HBA
1
HBD
81.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.89
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L929 CHEMBL612267 | EC50 | 7.89 | 7.89 | 13.0 | 2 |
| HT-29 CHEMBL384 | EC50 | 7.64 | 7.64 | 23.0 | 2 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 7.05 | 7.05 | 90.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 61.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L929 | EC50 | = | 13.0 | nM | 7.89 | Anti-neprotic activity in mouse L929 cells assessed as reduction in TNF-induced ... | 31622096 |
| L929 | EC50 | = | 13.0 | nM | 7.89 | Anti-necroptic activity in mouse L929 cells | 36346971 |
| HT-29 | EC50 | = | 23.0 | nM | 7.64 | Anti-neprotic activity in human HT-29 cells assessed as reduction in TNF-induced... | 31622096 |
| HT-29 | EC50 | = | 23.0 | nM | 7.64 | Anti-necroptic activity in human HT-29 cells | 36346971 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of recombinant RIPK1 (unknown origin) using MBP as substrate preincub... | 31622096 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of RIP1 (unknown origin) | 36346971 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31622096 | 10.1021/acs.jmedchem.9b01317 | HT-29 | 1 |
| 31622096 | 10.1021/acs.jmedchem.9b01317 | L929 | 1 |
| 31622096 | 10.1021/acs.jmedchem.9b01317 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 31622096 | 10.1021/acs.jmedchem.9b01317 | Receptor-interacting serine/threonine-protein kinase 3 | 1 |
| 31622096 | 10.1021/acs.jmedchem.9b01317 | Mus musculus | 1 |
| 31622096 | 10.1021/acs.jmedchem.9b01317 | ADMET | 1 |
| 36346971 | 10.1021/acs.jmedchem.2c01518 | HT-29 | 1 |
| 36346971 | 10.1021/acs.jmedchem.2c01518 | Receptor-interacting serine/threonine-protein kinase 1 | 1 |
| 36346971 | 10.1021/acs.jmedchem.2c01518 | L929 | 1 |
Data from ChEMBL 36 via Core Engine