Compound Detail
CHEMBL4762015
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COc1cc(Nc2c(C#N)c(C)nc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL4762015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UERVRFHXFKTUAC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
544.5
MW (Da)
5.50
ALogP
8
HBA
1
HBD
82.9
PSA (Ų)
0.35
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase RIO3 CHEMBL5659 | Kd | 5.8 | 5.8 | 1584.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase RIO3 | Kd | = | 1584.89 | nM | 5.8 | Binding affinity to RIOK3 (unknown origin) | - |
| Serine/threonine-protein kinase RIO3 | Kd | = | 1600.0 | nM | 5.8 | Binding affinity to RIOK3 (unknown origin) | - |
Data from ChEMBL 36 via Core Engine