Compound Detail
CHEMBL3663134
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COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nnn(C)c4c3)c2cn1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3663134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVIKUBORNQXRBY-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
3.42
ALogP
7
HBA
3
HBD
122.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.65 | 9.65 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.2213 | nM | 9.65 | IMAP-FP Assay: Activated ERK2 activity was determined in an IMAP-FP assay (Molec... | - |
Data from ChEMBL 36 via Core Engine