Compound Detail
CHEMBL299889
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Basic Information
| ChEMBL ID | CHEMBL299889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBCLFWXMTIKCCB-VIFPVBQESA-N |
1
Targets
7
Activities
3
Assay Types
1
PK Parameters
16
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
-0.24
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Ki 3 meas. best 5.1
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 15 member 2 CHEMBL3325 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.192 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 15 member 2 | Ki | = | 8000.0 | nM | 5.1 | 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 |
| 3656360 | 10.1021/jm00393a031 | Unchecked | 2 |
| 3656360 | 10.1021/jm00393a031 | No relevant target | 2 |
| 19060912 | 10.1038/nchembio.132 | General amino-acid permease GAP1 | 2 |
| 1588561 | 10.1021/jm00088a019 | ADMET | 1 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 7629809 | 10.1021/jm00014a022 | Unchecked | 1 |
| 8360884 | 10.1021/jm00068a017 | Angiotensin-converting enzyme | 1 |
| 10691692 | 10.1021/jm990226g | Tripeptidyl-peptidase 2 | 1 |
| - | 10.1016/0960-894X(95)00379-8 | Rattus norvegicus | 1 |
| 19398207 | 10.1016/j.bmc.2009.04.014 | Plasma | 1 |
| 7756356 | 10.1016/0005-2736(95)80036-f | Solute carrier family 15 member 2 | 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 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