Compound Detail
CHEMBL5435641
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C[C@@H]1CCCN1c1cc2c(c([C@H](N)CN)n1)CN(c1cccc(-c3nnc4n3[C@@H](C)CC4)n1)C2=O
Basic Information
| ChEMBL ID | CHEMBL5435641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUOFLQBOFKWOGI-RVKKMQEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
2.35
ALogP
9
HBA
2
HBD
132.1
PSA (Ų)
0.58
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 SLP-76 phosphoryla... | 37990878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37990878 | 10.1021/acs.jmedchem.3c01571 | Mitogen-activated protein kinase kinase kinase kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine