Compound Detail
CHEMBL5203557
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Cc1c(N)cncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C(C)C)CC4)ncc2c(N)c1F
Basic Information
| ChEMBL ID | CHEMBL5203557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJFKMPSAJAXBBL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
3.64
ALogP
8
HBA
3
HBD
128.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | Ki | 10.89 | 10.89 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 | Ki | = | 0.013 | nM | 10.89 | Inhibition of full-length HPK1 (unknown origin) assessed as inhibition constant ... | 35696642 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | Ki | = | 0.013 | nM | 10.89 | HPK1-FL HTRF Enzymatic Assay: To a 384 well Proxiplate with 80 nL compound or DM... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35696642 | 10.1021/acs.jmedchem.2c00172 | Mitogen-activated protein kinase kinase kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine