Compound Detail
CHEMBL69531
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Basic Information
| ChEMBL ID | CHEMBL69531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXFUDSMGEYRNNC-LURJTMIESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
209.2
MW (Da)
0.88
ALogP
4
HBA
2
HBD
98.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 4.54 | 4.54 | 29000.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL2073691 | Ki | 4.21 | 4.21 | 61000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 29000.0 | nM | 4.54 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells | 11007306 |
| Solute carrier family 15 member 1 | Ki | = | 61000.0 | nM | 4.21 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cells | 11007306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8423594 | 10.1021/jm00054a004 | Leukotriene A-4 hydrolase | 3 |
| 8423594 | 10.1021/jm00054a004 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)80464-9 | Leukotriene A-4 hydrolase | 1 |
| 11007306 | 10.1007/s004240000339 | Solute carrier family 15 member 2 | 1 |
| 11007306 | 10.1007/s004240000339 | Solute carrier family 15 member 1 | 1 |
Data from ChEMBL 36 via Core Engine