Compound Detail
CHEMBL5416929
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Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c3)c2c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5416929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVYSMFRVGWBOAB-ZDUSSCGKSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
0.81
ALogP
6
HBA
6
HBD
191.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.17
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.76 | nM | 8.17 | Antiproliferative activity against chinese hamster RT-16 cells expressing human ... | 38116433 |
| Unchecked | IC50 | = | 8.9 | nM | 8.05 | Antiproliferative activity against chinese hamster D4 cells expressing human FR-... | 38116433 |
| Unchecked | IC50 | = | 25.9 | nM | 7.59 | Antiproliferative activity against chinese hamster R2 cells expressing human PCF... | 38116433 |
| KB | IC50 | = | 77.31 | nM | 7.11 | Antiproliferative activity against human KB cells assessed as cell growth inhibi... | 38116433 |
| Unchecked | IC50 | = | 169.0 | nM | 6.77 | Antiproliferative activity against chinese hamster PC43-10 cells expressing huma... | 38116433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38116433 | 10.1021/acsmedchemlett.3c00326 | Unchecked | 9 |
| 38116433 | 10.1021/acsmedchemlett.3c00326 | KB | 5 |
| 38116433 | 10.1021/acsmedchemlett.3c00326 | IGROV-1 | 1 |
Data from ChEMBL 36 via Core Engine