Compound Detail
CHEMBL4114300
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Nc1ncc([C@@H]2CC[C@@H](O)[C@H](O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL4114300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUBSZMVTSXUNEP-BSRMVROESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
563.4
MW (Da)
3.22
ALogP
7
HBA
5
HBD
141.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.73 | 10.73 | 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 | = | 0.0187 | nM | 10.73 | ERK2 (20 pM) Kinase Assay: Compound potency against activated ERK2 was determine... | - |
Data from ChEMBL 36 via Core Engine