Compound Detail
CHEMBL310840
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Basic Information
| ChEMBL ID | CHEMBL310840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCFMWQIQBVZOQR-UHFFFAOYSA-N |
11
Targets
14
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.91
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 8.22 | 8.035 | 6.0 | 2 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 8.22 | 8.135 | 6.0 | 2 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.64 | 7.145 | 23.0 | 2 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D CHEMBL2095942 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 6.59 | 6.59 | 258.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| CDK7/Cyclin H/MNAT1 CHEMBL3038473 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine