Compound Detail
CHEMBL39179
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Basic Information
| ChEMBL ID | CHEMBL39179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYYLDKGBCJGJGW-WMZOPIPTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
1.56
ALogP
4
HBA
5
HBD
128.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 1 CHEMBL4605 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 1 | IC50 | = | 80000.0 | nM | 4.1 | Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in... | 16759105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 3 |
| 9526560 | 10.1021/jm9704311 | ADMET | 2 |
| 9526560 | 10.1021/jm9704311 | No relevant target | 1 |
| 9873385 | 10.1016/s0960-894x(98)00259-5 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine