Compound Detail
CHEMBL5886804
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Cn1nccc1Nc1cc(-c2cc3n4c(nnc4c2)[C@H](Cc2ccc(F)c(F)c2)CO3)ccn1
Basic Information
| ChEMBL ID | CHEMBL5886804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYDBGLJLPSFVOL-QGZVFWFLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
4.27
ALogP
8
HBA
1
HBD
82.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.52 | 9.085 | 0.0 | 2 |
| Mitogen-activated protein kinase 6 CHEMBL5121 | IC50 | 7.65 | 7.65 | 22.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.03 | nM | 10.52 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 22.3 | nM | 7.65 | ERK-2 Enzymatic Assay: Compounds were tested in an enzymatic assay using human E... | - |
| Mitogen-activated protein kinase 6 | IC50 | = | 22.3 | nM | 7.65 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
Data from ChEMBL 36 via Core Engine