Compound Detail
CHEMBL1989044
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Basic Information
| ChEMBL ID | CHEMBL1989044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWEYFUAPWACRTE-RQZCQDPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.92
ALogP
6
HBA
1
HBD
63.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | Kd | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | Kd | = | 79.0 | nM | 7.1 | Binding affinity to Zn(II)+ incubated for 60 mins using FluoZin-3 by fuorescence... | 33538587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33538587 | 10.1021/acs.jmedchem.0c01360 | Unchecked | 3 |
| 33538587 | 10.1021/acs.jmedchem.0c01360 | No relevant target | 2 |
| 33538587 | 10.1021/acs.jmedchem.0c01360 | TOV112D | 1 |
| 33538587 | 10.1021/acs.jmedchem.0c01360 | NCI-H1299 | 1 |
| 33538587 | 10.1021/acs.jmedchem.0c01360 | ADMET | 1 |
| 33538587 | 10.1021/acs.jmedchem.0c01360 | Mu-type opioid receptor | 1 |
| 33538587 | 10.1021/acs.jmedchem.0c01360 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 33538587 | 10.1021/acs.jmedchem.0c01360 | 5-hydroxytryptamine receptor 2A | 1 |
| 33538587 | 10.1021/acs.jmedchem.0c01360 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine