Compound Detail
CHEMBL5426967
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Basic Information
| ChEMBL ID | CHEMBL5426967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIPRCHQQYIWHEY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
4.21
ALogP
5
HBA
1
HBD
76.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-MEL-28 CHEMBL614919 | IC50 | 5.53 | 5.53 | 2950.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 5.3 | 5.3 | 4960.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.09 | 5.09 | 8120.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.96 | 4.96 | 10980.0 | 1 |
| NRK-52E CHEMBL4483282 | IC50 | 4.69 | 4.69 | 20500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL-28 | IC50 | = | 2950.0 | nM | 5.53 | Anticancer activity against human SK-MEL-28 cells assessed as inhibition in cell... | 37797804 |
| B16-F10 | IC50 | = | 4960.0 | nM | 5.3 | Anticancer activity against mouse B16-F10 cells assessed as inhibition in cell g... | 37797804 |
| HCT-116 | IC50 | = | 7900.0 | nM | 5.1 | Anticancer activity against human HCT-116 cells assessed as inhibition in cell g... | 37797804 |
| A549 | IC50 | = | 8120.0 | nM | 5.09 | Anticancer activity against human A549 cells assessed as inhibition in cell grow... | 37797804 |
| MCF7 | IC50 | = | 10980.0 | nM | 4.96 | Anticancer activity against human MCF7 cells assessed as inhibition in cell grow... | 37797804 |
| NRK-52E | IC50 | = | 20500.0 | nM | 4.69 | Cytotoxicity against NRK-52E cells assessed as inhibition in cell growth measure... | 37797804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37797804 | 10.1016/j.bmcl.2023.129494 | HCT-116 | 1 |
| 37797804 | 10.1016/j.bmcl.2023.129494 | B16-F10 | 1 |
| 37797804 | 10.1016/j.bmcl.2023.129494 | A549 | 1 |
| 37797804 | 10.1016/j.bmcl.2023.129494 | SK-MEL-28 | 1 |
| 37797804 | 10.1016/j.bmcl.2023.129494 | MCF7 | 1 |
| 37797804 | 10.1016/j.bmcl.2023.129494 | NRK-52E | 1 |
Data from ChEMBL 36 via Core Engine