Compound Detail
CHEMBL5860476
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CC[C@@H](N)c1nc(N2CCC[C@H]2C)cc2c1CN(c1cccc(-c3nnc4n3[C@@H](C)CC4)n1)C2=O
Basic Information
| ChEMBL ID | CHEMBL5860476 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOLSZCLZVLICGG-JTDSTZFVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.80
ALogP
8
HBA
1
HBD
106.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 47.0 | nM | 7.33 | Biochemical Selectivity Kinase Assay: PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase ass... | - |
| Serine/threonine-protein kinase D2 | IC50 | = | 155.0 | nM | 6.81 | Biochemical Selectivity Kinase Assay: PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase ass... | - |
Data from ChEMBL 36 via Core Engine