Compound Detail
CHEMBL5804402
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COC1CCC(N2CCC(Nc3cncc(-n4cc(-c5cc(C(=O)NC6CC6)ccc5C)cn4)c3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL5804402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQYJVNIVENJSNS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
4.97
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 1.1 | nM | 8.96 | V9103X ADP-Glo Kinase Assay Custom: In a 384-well plate, test compound diluted i... | - |
Data from ChEMBL 36 via Core Engine