Compound Detail
CHEMBL388577
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Basic Information
| ChEMBL ID | CHEMBL388577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIJAGAILBKZBCM-LMBGGOERSA-N |
| Parent Compound | CHEMBL1908975 |
| Active Moiety | CHEMBL1908975 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
417.2
MW (Da)
4.63
ALogP
3
HBA
0
HBD
33.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 8.06 | 8.06 | 8.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 8.7 | nM | 8.06 | Binding affinity at amyloid peptide plaques | 17035032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17035032 | 10.1016/j.bmc.2006.09.044 | Blood | 4 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | Liver | 3 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | Kidney | 3 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | Intestine | 3 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | Spleen | 3 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | Pancreas | 3 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | Heart | 3 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | Stomach | 3 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | Brain | 3 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | No relevant target | 1 |
| 17035032 | 10.1016/j.bmc.2006.09.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine