Compound Detail
CHEMBL3765076
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 | CHEMBL3765076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQIAACVWMZBULU-CRWXNKLISA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
3.46
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.24 | 5.16 | 5700.0 | 4 |
| K562 CHEMBL385 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5700.0 | nM | 5.24 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 26832219 |
| NON-PROTEIN TARGET | IC50 | = | 6700.0 | nM | 5.17 | Cytotoxicity against human HL60/ADR cells after 72 hrs by MTT assay | 26832219 |
| K562 | IC50 | = | 7000.0 | nM | 5.16 | Cytotoxicity against human K562 cells after 72 hrs by MTT assay | 26832219 |
| NON-PROTEIN TARGET | IC50 | = | 7600.0 | nM | 5.12 | Cytotoxicity against human KG1a cells after 72 hrs by MTT assay | 26832219 |
| NON-PROTEIN TARGET | IC50 | = | 7700.0 | nM | 5.11 | Cytotoxicity against human K562/A02 cells after 72 hrs by MTT assay | 26832219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26832219 | 10.1016/j.bmcl.2016.01.046 | KG-1a | 16 |
| 26832219 | 10.1016/j.bmcl.2016.01.046 | NON-PROTEIN TARGET | 10 |
| 26832219 | 10.1016/j.bmcl.2016.01.046 | Molecular identity unknown | 4 |
| 26832219 | 10.1016/j.bmcl.2016.01.046 | K562 | 1 |
| 26832219 | 10.1016/j.bmcl.2016.01.046 | ADMET | 1 |
| 26832219 | 10.1016/j.bmcl.2016.01.046 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine