Compound Detail
CHEMBL5999003
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Basic Information
| ChEMBL ID | CHEMBL5999003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTUCMRABBNMEFZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.39
ALogP
10
HBA
1
HBD
104.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.7 | 9.85 | 0.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.02 | nM | 10.7 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.02 | nM | 10.7 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 7.12 | nM | 8.15 | Enzymatic Assay: Compounds were tested in an enzymatic assay using human ERK-2 (... | - |
Data from ChEMBL 36 via Core Engine