Compound Detail
CHEMBL215205
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Basic Information
| ChEMBL ID | CHEMBL215205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYZRKFOEZQBUEA-OUKQBFOZSA-N |
19
Targets
33
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
1.70
ALogP
6
HBA
4
HBD
125.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 30 meas. best 6.82
Ki 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.82 | 6.55 | 150.0 | 4 |
| CDK9/Cyclin T CHEMBL5291961 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | Ki | 6.46 | 6.46 | 350.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 5.46 | 5.08 | 3500.0 | 2 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.46 | 4.81 | 3500.0 | 2 |
| Ribosomal protein S6 kinase (P70S6K) CHEMBL2111330 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | Ki | 4.88 | 4.88 | 13300.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 4.88 | 4.88 | 13100.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 4.87 | 4.87 | 13500.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.82 | 4.5033 | 15000.0 | 3 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 4.7 | 4.7 | 20000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| HMEC-1 CHEMBL4296433 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 4.6 | 4.6 | 24900.0 | 1 |
| Cyclin-dependent kinase 7/ cyclin H CHEMBL2111288 | IC50 | 4.58 | 4.58 | 26000.0 | 2 |
| K562 CHEMBL385 | IC50 | 4.48 | 4.345 | 33000.0 | 2 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
| HOS CHEMBL614736 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
| G-361 CHEMBL614036 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | Ki | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine