Compound Detail
CHEMBL500626
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Basic Information
| ChEMBL ID | CHEMBL500626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGGVDICGLNLAGP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.38
ALogP
5
HBA
4
HBD
118.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.54
Ki 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.54 | 4.39 | 28700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7943.28 | nM | 5.1 | Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex... | 18678494 |
| NON-PROTEIN TARGET | IC50 | = | 28700.0 | nM | 4.54 | Cytotoxicity against human Kelly cells assessed as cell viability reduction incu... | 27108161 |
| NON-PROTEIN TARGET | IC50 | = | 57400.0 | nM | 4.24 | Cytotoxicity against human HL60 cells assessed as cell viability reduction incub... | 27108161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27108161 | 10.1016/j.ejmech.2016.03.047 | Molecular identity unknown | 15 |
| 27108161 | 10.1016/j.ejmech.2016.03.047 | NON-PROTEIN TARGET | 3 |
| 18678494 | 10.1016/j.bmc.2008.07.033 | Unchecked | 1 |
| 27108161 | 10.1016/j.ejmech.2016.03.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine