Compound Detail
CHEMBL5433810
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Cc1[nH]c2nc(N)[nH]c(=O)c2c1CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL5433810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USWMPBHWIPTNLV-AWEZNQCLSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
0.97
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 8.24
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.7 | nM | 8.24 | Antiproliferative activity against chinese hamster D4 cells expressing human FR-... | 38116433 |
| Unchecked | IC50 | = | 7.66 | nM | 8.12 | Antiproliferative activity against chinese hamster R2 cells expressing human PCF... | 38116433 |
| IGROV-1 | IC50 | = | 9.31 | nM | 8.03 | Antiproliferative activity against human IGROV-1 cells assessed as inhibition of... | 38116433 |
| KB | IC50 | = | 28.5 | nM | 7.54 | Antiproliferative activity against human KB cells assessed as cell growth inhibi... | 38116433 |
| Unchecked | IC50 | = | 94.83 | nM | 7.02 | Antiproliferative activity against chinese hamster RT-16 cells expressing human ... | 38116433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38116433 | 10.1021/acsmedchemlett.3c00326 | Unchecked | 9 |
| 38116433 | 10.1021/acsmedchemlett.3c00326 | KB | 3 |
| 38116433 | 10.1021/acsmedchemlett.3c00326 | IGROV-1 | 1 |
Data from ChEMBL 36 via Core Engine