Compound Detail
CHEMBL4112962
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CNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)CC3)cnc2N)cc1F)c1cccc(Br)c1
Basic Information
| ChEMBL ID | CHEMBL4112962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAKGNGAYAIRPPC-YIFZBPKDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.5
MW (Da)
4.34
ALogP
6
HBA
4
HBD
113.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.68 | 10.68 | 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 | = | 0.0209 | nM | 10.68 | ERK2 (20 pM) Kinase Assay: Compound potency against activated ERK2 was determine... | - |
Data from ChEMBL 36 via Core Engine