Compound Detail
CHEMBL54922
PROLINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL54922 |
| Name | PROLINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ONIBWKKTOPOVIA-BYPYZUCNSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
Molecular Properties
115.1
MW (Da)
-0.18
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 5 meas. best 4.76
Ki 2 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
| Angiotensin-converting enzyme CHEMBL1808 | Ki | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 17200.0 | nM | 4.76 | Inhibitory concentration required to inhibit [3H]strychnine binding to N-methyl-... | 1310117 |
| Angiotensin-converting enzyme | Ki | = | 86000.0 | nM | 4.07 | Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-gl... | 24088053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731697 | 10.1039/d3md00274h | Jurkat E6.1 | 29 |
| - | 10.1016/j.cropro.2012.01.008 | Hyaloperonospora parasitica | 6 |
| 35219949 | 10.1016/j.ejmech.2022.114206 | Glutamate 5-kinase | 4 |
| - | 10.1016/j.cropro.2012.01.008 | Brassica oleracea | 4 |
| 24088053 | 10.1021/jm400813y | Angiotensin-converting enzyme | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 21955456 | 10.1016/j.bmc.2011.08.058 | Proton-coupled amino acid transporter 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 1310117 | 10.1021/jm00080a006 | Glutamate receptor ionotropic, NMDA 1 | 2 |
| 11278508 | 10.1074/jbc.m009462200 | Monocarboxylate transporter 10 | 1 |
| 17126019 | 10.1016/j.bmc.2006.10.056 | Liver microsomes | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 3084787 | 10.1021/jm00155a045 | Mitochondrial carnitine/acylcarnitine carrier protein | 1 |
| 34726055 | 10.1021/acs.jmedchem.1c00981 | Pyruvate kinase PKM | 1 |
| - | 10.1016/0960-894X(94)85023-2 | Dihydrodipicolinate synthase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 12873507 | 10.1016/s0960-894x(03)00535-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine