Compound Detail
CHEMBL5575056
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CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)c(=O)[nH]2)c2ncn(C(C)C)c2n1
Basic Information
| ChEMBL ID | CHEMBL5575056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZMGLCCXIBNSGN-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
2.95
ALogP
9
HBA
4
HBD
133.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK12/Cyclin K CHEMBL4106169 | EC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK12/Cyclin K | EC50 | = | 21.0 | nM | 7.68 | Inhibition of 6His-tagged wild type CDK12/cyclin K (unknown origin) infected in ... | 38579492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38579492 | 10.1016/j.bmc.2024.117653 | CDK12/Cyclin K | 1 |
Data from ChEMBL 36 via Core Engine