Compound Detail
CHEMBL5788403
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COc1cc(F)cc([C@@H](CO)NC(=O)[C@@H](C)N2Cc3ncc(-c4nc(Nc5cn(C)nn5)ncc4Cl)cc3C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL5788403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAUQBWCPDSHWNI-LRTDBIEQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
582.0
MW (Da)
2.41
ALogP
11
HBA
3
HBD
160.3
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 1.7 | nM | 8.77 | ERK2 In vitro Inhibition Assay: Activity of ERK2 enzyme (Life Technologies) was ... | - |
Data from ChEMBL 36 via Core Engine