Compound Detail
CHEMBL93127
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Basic Information
| ChEMBL ID | CHEMBL93127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIWFXZNIBQBFHR-LURJTMIESA-N |
2
Targets
10
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
-1.52
ALogP
4
HBA
4
HBD
121.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 4.41
IC50 2 meas.
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 4.41 | 4.41 | 38904.5 | 2 |
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 39000.0 | nM | 4.41 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 38904.51 | nM | 4.41 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 39000.0 | nM | 4.41 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells | 11007306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 2 |
| 21741846 | 10.1016/j.bmc.2011.06.027 | Solute carrier family 15 member 2 | 2 |
| 23792353 | 10.1016/j.ejmech.2013.05.009 | NON-PROTEIN TARGET | 2 |
| 14667225 | 10.1021/jm030976x | Solute carrier family 15 member 1 | 1 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 11007306 | 10.1007/s004240000339 | Solute carrier family 15 member 1 | 1 |
| 11007306 | 10.1007/s004240000339 | Solute carrier family 15 member 2 | 1 |
| 23792353 | 10.1016/j.ejmech.2013.05.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine