Compound Detail
CHEMBL4113157
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Cc1nn(C(F)F)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(CF)c3)c(F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4113157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYYYOGGCUNBDBQ-HSZRJFAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
4.97
ALogP
6
HBA
3
HBD
106.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.77 | 10.77 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.0168 | nM | 10.77 | ERK2 (20 pM) Kinase Assay: Compound potency against activated ERK2 was determine... | - |
Data from ChEMBL 36 via Core Engine