Compound Detail
CHEMBL3603951
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 | CHEMBL3603951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCZSJAOXVXQQRC-LVPMNLMOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.01
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.7 | 5.69 | 2000.0 | 2 |
| C6 CHEMBL614657 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1800.0 | nM | 5.75 | Cytotoxicity against human KG1a cells | 26226279 |
| HL-60 | IC50 | = | 2000.0 | nM | 5.7 | Cytotoxicity against human HL60 cells | 26226279 |
| HL-60 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human HL60/A cells | 26226279 |
| C6 | IC50 | = | 3400.0 | nM | 5.47 | Cytotoxicity against rat C6 cells | 26226279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26226279 | 10.1021/acs.jmedchem.5b00915 | HL-60 | 2 |
| 26226279 | 10.1021/acs.jmedchem.5b00915 | C6 | 1 |
| 26226279 | 10.1021/acs.jmedchem.5b00915 | NON-PROTEIN TARGET | 1 |
| 26226279 | 10.1021/acs.jmedchem.5b00915 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine