Compound Detail
CHEMBL99871
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 | CHEMBL99871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDBOSQCFXIVZDI-DHIUTWEWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.0
MW (Da)
5.64
ALogP
5
HBA
0
HBD
34.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.91
Ki 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 6.25 | 6.25 | 569.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 5.91 | 5.91 | 1230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 569.0 | nM | 6.25 | Inhibition of [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(P... | 8709127 |
| Voltage-gated L-type calcium channel | IC50 | = | 1230.0 | nM | 5.91 | Ability to inhibit [3H]nitrendipine binding to the calcium channel receptor(CCR)... | 8709127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709127 | 10.1021/jm960162z | Voltage-gated L-type calcium channel | 1 |
| 8709127 | 10.1021/jm960162z | Translocator protein | 1 |
| 8709127 | 10.1021/jm960162z | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine