Compound Detail
CHEMBL3896233
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Basic Information
| ChEMBL ID | CHEMBL3896233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBTFAVMORZGOBX-SUMWQHHRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
2.79
ALogP
6
HBA
3
HBD
94.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 6.89 | 6.89 | 129.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 2.1 | nM | 8.68 | Inhibition of human His6-tagged CDK9/cyclin T1 expressed in baculovirus infected... | 27171036 |
| CDK2/Cyclin A2 | IC50 | = | 129.1 | nM | 6.89 | Inhibition of human full length C-terminal His6-tagged CDK2/N-terminal GST-tagge... | 27171036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27171036 | 10.1021/acs.jmedchem.6b00150 | CDK2/Cyclin A2 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | CDK9/cyclin T1 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine