Compound Detail
CHEMBL3962241
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Basic Information
| ChEMBL ID | CHEMBL3962241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSJOYQIOHVHMCZ-UHFFFAOYSA-N |
6
Targets
14
Activities
1
Assay Types
5
PK Parameters
18
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
4.49
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 8.3 | 7.91 | 5.0 | 6 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 7.24 | 7.215 | 57.0 | 2 |
| MOLM-13 CHEMBL3706572 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.66 | 6.5567 | 220.0 | 3 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 5.4 | 5.4 | 3959.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 31.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 26.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 21.67 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine