Compound Detail
CHEMBL5569741
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C[C@@H]1CC[C@H](Nc2nc(-c3c[nH]c4c(P(C)(C)=O)cccc34)c3sccc3n2)CN1
Basic Information
| ChEMBL ID | CHEMBL5569741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDKCCNVCSBISEP-KGLIPLIRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
4.64
ALogP
6
HBA
3
HBD
82.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK7/Cyclin H/MNAT1 CHEMBL3038473 | IC50 | 7.19 | 7.19 | 65.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK7/Cyclin H/MNAT1 | IC50 | = | 65.1 | nM | 7.19 | Inhibition of human His-tagged CDK7/cyclin H/MNAT1 expressed in baculovirus infe... | 38000213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38000213 | 10.1016/j.ejmech.2023.115955 | CDK7/Cyclin H/MNAT1 | 3 |
Data from ChEMBL 36 via Core Engine