Compound Detail
CHEMBL299759
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL299759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJHCSUXXECOXOY-NSHDSACASA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
0.24
ALogP
3
HBA
4
HBD
108.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.16
IC50 2 meas. best 4.52
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 4.52 | 4.52 | 30199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 7000.0 | nM | 5.16 | TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cells | 11007306 |
| Angiotensin-converting enzyme | IC50 | = | 30199.52 | nM | 4.52 | Biological activity was measured against Angiotensin I converting enzyme | 7629809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 19060912 | 10.1038/nchembio.132 | General amino-acid permease GAP1 | 2 |
| 3656360 | 10.1021/jm00393a031 | Unchecked | 1 |
| 3656360 | 10.1021/jm00393a031 | No relevant target | 1 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 7629809 | 10.1021/jm00014a022 | Unchecked | 1 |
| 10691692 | 10.1021/jm990226g | Tripeptidyl-peptidase 2 | 1 |
| 11007306 | 10.1007/s004240000339 | Solute carrier family 15 member 1 | 1 |
| 11007306 | 10.1007/s004240000339 | Solute carrier family 15 member 2 | 1 |
| 25016232 | 10.1016/j.ejmech.2014.07.015 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine