Compound Detail
CHEMBL4113613
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CCNC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(Br)c1
Basic Information
| ChEMBL ID | CHEMBL4113613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOMDSSOSEMXXLD-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.5
MW (Da)
4.60
ALogP
6
HBA
3
HBD
102.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.61 | 10.61 | 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 | = | 0.0248 | nM | 10.61 | ERK2 (20 pM) Kinase Assay: Compound potency against activated ERK2 was determine... | - |
Data from ChEMBL 36 via Core Engine