Compound Detail
CHEMBL5958147
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CN1C(=O)N[C@H](Cc2ccc(F)cc2)c2nnc3cc(-c4ccnc(Nc5ccnn5C)n4)cc1n23
Basic Information
| ChEMBL ID | CHEMBL5958147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKPKWSLDQYQEEF-GOSISDBHSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
3.25
ALogP
9
HBA
2
HBD
118.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.76 | 9.76 | 0.2 | 4 |
| Mitogen-activated protein kinase 6 CHEMBL5121 | IC50 | 9.76 | 9.76 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.173 | nM | 9.76 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.173 | nM | 9.76 | ERK-2 Enzymatic Assay: Compounds were tested in an enzymatic assay using human E... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.173 | nM | 9.76 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.173 | nM | 9.76 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Mitogen-activated protein kinase 6 | IC50 | = | 0.173 | nM | 9.76 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
Data from ChEMBL 36 via Core Engine