Compound Detail
CHEMBL298979
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Basic Information
| ChEMBL ID | CHEMBL298979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIDKVWTWGDWMHY-RYUDHWBXSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
0.26
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Ki 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 13000.0 | nM | 4.89 | In vitro affinity for the neurotensin receptor on mouse brain membranes. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22447611 | 10.1128/aem.00301-12 | Phenol oxidase | 2 |
| 22447611 | 10.1128/aem.00301-12 | Unchecked | 2 |
| 22447611 | 10.1128/aem.00301-12 | Plutella xylostella | 2 |
| 3656360 | 10.1021/jm00393a031 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80059-1 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80059-1 | Mus musculus | 1 |
| 14667225 | 10.1021/jm030976x | Solute carrier family 15 member 1 | 1 |
| 7629809 | 10.1021/jm00014a022 | Unchecked | 1 |
| 22447611 | 10.1128/aem.00301-12 | Spodoptera exigua | 1 |
Data from ChEMBL 36 via Core Engine