Compound Detail
CHEMBL5428061
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Cc1c(-c2ccc3cnc(Nc4cc5n(n4)CC(=O)N(C(C)C)CC5)nc3c2)cnc2c1NCCO2
Basic Information
| ChEMBL ID | CHEMBL5428061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXFPENIHVVSKEP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
3.54
ALogP
9
HBA
2
HBD
110.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 6.72 | 6.72 | 190.0 | 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 | = | 190.0 | nM | 6.72 | Inhibition of full-length human GST-tagged HPK1 expressed in baculovirus infecte... | 37531921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37531921 | 10.1016/j.bmc.2023.117423 | Mitogen-activated protein kinase kinase kinase kinase 1 | 2 |
| 37531921 | 10.1016/j.bmc.2023.117423 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine