Compound Detail
CHEMBL5555747
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CC[C@@H](N)c1cc(N2CCC[C@H]2C)cc2c1CN(c1cccc(-c3nnc4n3[C@@H](C)CC4)n1)C2=O
Basic Information
| ChEMBL ID | CHEMBL5555747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBDJIGFNDGHZRS-HYFFOGBASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
4.41
ALogP
7
HBA
1
HBD
93.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of HPK1 (unknown origin) assessed as inhibition of SLP76 phosphorylat... | 38479166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38479166 | 10.1016/j.ejmech.2024.116310 | Mitogen-activated protein kinase kinase kinase kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine