Compound Detail
CHEMBL4114958
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C[C@@H](NC(=O)c1ccc(-c2cc(C3CCC(=O)NC3)cnc2N)cc1F)c1cccc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL4114958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGUSKZLLCMGVCL-XPCCGILXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
4.61
ALogP
4
HBA
3
HBD
97.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.26 | 9.26 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.549 | nM | 9.26 | Kinase Assay (New): Compound potency against activated ERK2 is determined using ... | - |
Data from ChEMBL 36 via Core Engine