Compound Detail
CHEMBL3298091
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Basic Information
| ChEMBL ID | CHEMBL3298091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTJJEQUDVFRYSN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.17
ALogP
3
HBA
1
HBD
65.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NPC intracellular cholesterol transporter 1 CHEMBL1293277 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NPC intracellular cholesterol transporter 1 | EC50 | = | 13000.0 | nM | 4.89 | Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expres... | 28465104 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24906511 | 10.1016/j.bmc.2014.05.022 | NPC1-like intracellular cholesterol transporter 1 | 2 |
| 28465104 | 10.1016/j.bmcl.2017.04.062 | NPC intracellular cholesterol transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine