Compound Detail
CHEMBL260520
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Basic Information
| ChEMBL ID | CHEMBL260520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQFPIXQCNKMBQH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.54
ALogP
6
HBA
1
HBD
92.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.47
EC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol carrier protein 2 CHEMBL5950 | Kd | 6.47 | 6.245 | 339.0 | 2 |
| Albumin CHEMBL3728 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 2.946 | 10^6/M | Homo sapiens |
| Ka | 1.056 | 10^6/M | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol carrier protein 2 | Kd | = | 339.0 | nM | 6.47 | Binding affinity to site 1 of human mature SCP2 | 18024138 |
| Sterol carrier protein 2 | Kd | = | 947.0 | nM | 6.02 | Binding affinity to site 2 of human mature SCP2 | 18024138 |
| Albumin | EC50 | = | 1500.0 | nM | 5.82 | Binding affinity to bovine serum albumin | 18024138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18024138 | 10.1016/j.bmc.2007.10.080 | Sterol carrier protein 2 | 4 |
| 18024138 | 10.1016/j.bmc.2007.10.080 | No relevant target | 1 |
| 18024138 | 10.1016/j.bmc.2007.10.080 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine