Compound Detail
CHEMBL4435222
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4435222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMFPLKZKLSSWBR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
8
PK Parameters
9
Publications
0
Known Names
Molecular Properties
387.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 551.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 547.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 62.5 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1120.75 | nM | Rattus norvegicus |
| F | 19.5 | % | Rattus norvegicus |
| T1/2 | 1.4 | hr | Rattus norvegicus |
| T1/2 | 2.2 | hr | Rattus norvegicus |
| Tmax | 0.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 33.0 | nM | 7.48 | Antiproliferative activity against human SKOV3 cells after 72 hrs by MTT assay | 31264855 |
| MDA-MB-231 | IC50 | = | 37.0 | nM | 7.43 | Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT as... | 31264855 |
| HCT-116 | IC50 | = | 260.0 | nM | 6.58 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 31264855 |
| WI-38 | IC50 | = | 3200.0 | nM | 5.5 | Cytotoxicity against human WI38 cells after 72 hrs by MTT assay | 31264855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31264855 | 10.1021/acs.jmedchem.9b00736 | SK-OV-3 | 15 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | ADMET | 13 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | NCI-H460 | 3 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | SW480 | 2 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | MDA-MB-231 | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | HCT-116 | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | WI-38 | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | Unchecked | 1 |
| 31264855 | 10.1021/acs.jmedchem.9b00736 | Leucine--tRNA ligase, cytoplasmic | 1 |
Data from ChEMBL 36 via Core Engine