Compound Detail
CHEMBL536784
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 | CHEMBL536784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHBBZRJKWYBMEW-OAZHBLANSA-N |
| Parent Compound | CHEMBL1188591 |
| Active Moiety | CHEMBL1188591 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
4.17
ALogP
4
HBA
1
HBD
43.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P388 CHEMBL389 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.66 | 4.535 | 21900.0 | 2 |
| L1210 CHEMBL386 | IC50 | 4.49 | 4.49 | 32300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P388 | IC50 | = | 15100.0 | nM | 4.82 | Inhibition of proliferation of murine P388 cells | 9544201 |
| Homo sapiens | IC50 | = | 21900.0 | nM | 4.66 | Concentration required to inhibit 50% growth of Human CEM T-lymphocytes cells | 9544201 |
| L1210 | IC50 | = | 32300.0 | nM | 4.49 | Concentration required to inhibit 50% growth of L1210 leukemia cells | 9544201 |
| Homo sapiens | IC50 | = | 39200.0 | nM | 4.41 | Concentration required to inhibit 50% growth of human Molt 4/C8 T-lymphocyte cel... | 9544201 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544201 | 10.1021/jm970432t | Homo sapiens | 2 |
| 9544201 | 10.1021/jm970432t | P388 | 1 |
| 9544201 | 10.1021/jm970432t | L1210 | 1 |
Data from ChEMBL 36 via Core Engine