Compound Detail
CHEMBL292467
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Basic Information
| ChEMBL ID | CHEMBL292467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMAWOPBAYDPSLA-UHFFFAOYSA-N |
3
Targets
10
Activities
3
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
132.1
MW (Da)
-1.85
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.38
EC50 2 meas. best 4.96
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Olfactory receptor 51E2 CHEMBL4523454 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 4.38 | 4.38 | 42000.0 | 1 |
| Solute carrier family 15 member 2 CHEMBL1743125 | Ki | 4.27 | 4.27 | 53703.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Olfactory receptor 51E2 | EC50 | = | 11000.0 | nM | 4.96 | Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... | - |
| Solute carrier family 15 member 2 | Ki | = | 42000.0 | nM | 4.38 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells | 11007306 |
| Solute carrier family 15 member 2 | Ki | = | 54000.0 | nM | 4.27 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
| Solute carrier family 15 member 2 | Ki | = | 53703.18 | nM | 4.27 | Binding affinity to human PepT2 in SKTP cells | 21741846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 21741846 | 10.1016/j.bmc.2011.06.027 | Solute carrier family 15 member 2 | 2 |
| 22369147 | 10.1021/jm201517a | Unchecked | 2 |
| 3656360 | 10.1021/jm00393a031 | Unchecked | 1 |
| 3656360 | 10.1021/jm00393a031 | No relevant target | 1 |
| 14667225 | 10.1021/jm030976x | Solute carrier family 15 member 1 | 1 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 15974593 | 10.1021/jm048982w | Solute carrier family 15 member 1 | 1 |
| 19060912 | 10.1038/nchembio.132 | General amino-acid permease GAP1 | 1 |
| 10087037 | - | Solute carrier family 15 member 1 | 1 |
| 9755050 | 10.1152/ajpcell.1998.275.4.c967 | Solute carrier family 15 member 2 | 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