Compound Detail
CHEMBL5893541
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CN1C(=O)C[C@@H](Cc2ccccc2)c2nnc3cc(-c4ccnc(Nc5ccnn5C)c4)cc1n23
Basic Information
| ChEMBL ID | CHEMBL5893541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRGAEHIHCCSLPK-HXUWFJFHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
3.96
ALogP
8
HBA
1
HBD
93.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.14 | 9.185 | 0.1 | 2 |
| Mitogen-activated protein kinase 6 CHEMBL5121 | IC50 | 10.14 | 10.14 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.073 | nM | 10.14 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Mitogen-activated protein kinase 6 | IC50 | = | 0.073 | nM | 10.14 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 5.83 | nM | 8.23 | ERK-2 Enzymatic Assay: Compounds were tested in an enzymatic assay using human E... | - |
Data from ChEMBL 36 via Core Engine