Compound Detail
CHEMBL4530505
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 | CHEMBL4530505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWYWKMGQZNGTAQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
6
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.81
ALogP
5
HBA
2
HBD
89.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.42
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.28 | mL.min-1.kg-1 | Mus musculus |
| CL | 3.1 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2.73 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 5.56 | hr | Mus musculus |
| T1/2 | 15.19 | hr | Rattus norvegicus |
| T1/2 | 7.61 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WM164 | IC50 | = | 3.8 | nM | 8.42 | Antiproliferative activity against human WM164 cells after 72 hrs by MTT assay | 31251599 |
| M14 | IC50 | = | 6.1 | nM | 8.21 | Antiproliferative activity against human M14 cells after 72 hrs by MTT assay | 31251599 |
| A-375 | IC50 | = | 8.0 | nM | 8.1 | Antiproliferative activity against human A375 cells after 72 hrs by MTT assay | 31251599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31251599 | 10.1021/acs.jmedchem.9b00706 | ADMET | 6 |
| 31251599 | 10.1021/acs.jmedchem.9b00706 | M14 | 1 |
| 31251599 | 10.1021/acs.jmedchem.9b00706 | A-375 | 1 |
| 31251599 | 10.1021/acs.jmedchem.9b00706 | WM164 | 1 |
Data from ChEMBL 36 via Core Engine