Compound Detail
CHEMBL4747891
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Basic Information
| ChEMBL ID | CHEMBL4747891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SINNKSZURBXUGH-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.30
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.3 | 6.3 | 497.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 497.0 | nM | 6.3 | Displacement of [3H]-(+)-MK-801 from PCP binding site of NMDA receptor in pig br... | 30996788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996788 | 10.1021/acsmedchemlett.8b00536 | SK-BR-3 | 5 |
| 30996788 | 10.1021/acsmedchemlett.8b00536 | MCF7 | 5 |
| 30996788 | 10.1021/acsmedchemlett.8b00536 | ADMET | 2 |
| 30996788 | 10.1021/acsmedchemlett.8b00536 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine