Compound Detail
CHEMBL88138
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Basic Information
| ChEMBL ID | CHEMBL88138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPSHOHKFHRFBAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
230.4
MW (Da)
0.42
ALogP
4
HBA
4
HBD
76.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 730.0 | nM | 6.14 | Binding affinity to the mouse polyamine transporter on the L1210 cell surface | 12801231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978854 | 10.1021/jm960545x | ADMET | 4 |
| 12801231 | 10.1021/jm020598g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine