Compound Detail
CHEMBL5597465
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Cc1ccc(O)c(C)c1-c1cc(-c2ccnc(N3C[C@@H]4C[C@H]3CN4)c2)cc(C(N)=O)c1N
Basic Information
| ChEMBL ID | CHEMBL5597465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTSYQJNDEFNCTP-ROUUACIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
2.97
ALogP
6
HBA
4
HBD
117.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCC1569 CHEMBL1075456 | IC50 | 5.11 | 5.11 | 7780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCC1569 | IC50 | = | 7780.0 | nM | 5.11 | Antiproliferative activity against human HCC1569 cells incubated for 48 to 96 hr... | 39163619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39163619 | 10.1021/acs.jmedchem.4c01458 | Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | 3 |
| 39163619 | 10.1021/acs.jmedchem.4c01458 | HCC1569 | 1 |
| 39163619 | 10.1021/acs.jmedchem.4c01458 | ZR-75-1 | 1 |
Data from ChEMBL 36 via Core Engine