Compound Detail
CHEMBL66693
D-ALANINE 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 | CHEMBL66693 |
| Name | D-ALANINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNAYBMKLOCPYGJ-UWTATZPHSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
89.1
MW (Da)
-0.58
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.77
Ki 3 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.05 | 6.05 | 895.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Bacillus anthracis CHEMBL613904 | IC50 | 4.7 | 4.7 | 20000.0 | 2 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 4.04 | 4.04 | 90900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 630.96 | nM | 6.2 | Displacement of [3H]glycine from strychnine-insensitive glycine recognition site... | 19642674 |
| Unchecked | Ki | = | 895.0 | nM | 6.05 | Displacement of [3H]glycine from glycine receptor | 8496700 |
| Unchecked | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of binding of [3H]strychnine to N-methyl-D-aspartate glutamate recept... | 2549245 |
| Bacillus anthracis | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of inosine/L-alanine-induced Bacillus anthracis Sterne 34F2 spore ger... | 20921305 |
| Bacillus anthracis | IC50 | = | 20000.0 | nM | 4.7 | Antibacterial activity against Bacillus anthracis Sterne 34F2 infected in mouse ... | 20921305 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 90900.0 | nM | 4.04 | Inhibitory concentration required to inhibit [3H]strychnine binding to N-methyl-... | 1310117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496700 | 10.1021/np50094a001 | Unchecked | 2 |
| 20921305 | 10.1128/aac.01029-10 | Bacillus anthracis | 2 |
| 21955456 | 10.1016/j.bmc.2011.08.058 | Proton-coupled amino acid transporter 1 | 2 |
| 2549245 | 10.1021/jm00129a016 | Unchecked | 1 |
| 1310117 | 10.1021/jm00080a006 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 19642674 | 10.1021/jm900363q | Glutamate NMDA receptor | 1 |
| 20921305 | 10.1128/aac.01029-10 | J774.A1 | 1 |
| 11278508 | 10.1074/jbc.m009462200 | Monocarboxylate transporter 10 | 1 |
Data from ChEMBL 36 via Core Engine