Compound Detail
CHEMBL4112681
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Basic Information
| ChEMBL ID | CHEMBL4112681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZLDDRMCZNBSBN-OAQYLSRUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.36
ALogP
6
HBA
3
HBD
110.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.37 | 9.33 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.429 | nM | 9.37 | ERK2 (20 pM) Kinase Assay: Compound potency against activated ERK2 was determine... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.518 | nM | 9.29 | Kinase Assay (New): Compound potency against activated ERK2 is determined using ... | - |
Data from ChEMBL 36 via Core Engine