Compound Detail
CHEMBL2203439
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Basic Information
| ChEMBL ID | CHEMBL2203439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSFITLUTZVXDRB-JVVVGQRLSA-N |
| Parent Compound | CHEMBL2221294 |
| Active Moiety | CHEMBL2221294 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
1
Known Names
Molecular Properties
383.4
MW (Da)
3.53
ALogP
5
HBA
0
HBD
63.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microtubule-associated protein tau CHEMBL1293224 | Kd | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microtubule-associated protein tau | Kd | = | 0.7 | nM | 9.15 | Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mi... | 24900410 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900410 | 10.1021/ml300216t | Brain | 6 |
| 24900410 | 10.1021/ml300216t | Microtubule-associated protein tau | 2 |
| 24900410 | 10.1021/ml300216t | ADMET | 1 |
| 24900410 | 10.1021/ml300216t | Hippocampus | 1 |
| 24900410 | 10.1021/ml300216t | Cortex | 1 |
| 24900410 | 10.1021/ml300216t | Rattus norvegicus | 1 |
| 24900410 | 10.1021/ml300216t | Kidney | 1 |
| 24900410 | 10.1021/ml300216t | Liver | 1 |
| 24900410 | 10.1021/ml300216t | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine