Compound Detail
CHEMBL91193
THERMINE 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 | CHEMBL91193 |
| Name | THERMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAXCZCOUDLENMH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
-0.75
ALogP
4
HBA
4
HBD
76.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.82 | 5.82 | 1510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1510.0 | nM | 5.82 | 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 |
| 8558521 | 10.1021/jm950488s | No relevant target | 4 |
| 12801231 | 10.1021/jm020598g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine