Compound Detail
CHEMBL1135
DIMETHYLAMINOETHANOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1135 |
| Name | DIMETHYLAMINOETHANOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UEEJHVSXFDXPFK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
3
Known Names
Molecular Properties
89.1
MW (Da)
-0.46
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 2 meas. best 4.68
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent creatine transporter 1 CHEMBL3814 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
| High affinity choline transporter 1 CHEMBL3013 | Ki | 4.25 | 4.25 | 55718.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent creatine transporter 1 | Ki | = | 21000.0 | nM | 4.68 | Inhibition of [3H]choline brain uptake through choline transporter was determine... | 15149650 |
| High affinity choline transporter 1 | Ki | = | 55718.57 | nM | 4.25 | Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synapto... | 20637607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 3965711 | 10.1021/jm00379a002 | No relevant target | 1 |
| 9357523 | 10.1021/jm9701886 | Plasmodium falciparum | 1 |
| 15149650 | 10.1016/j.bmcl.2004.04.020 | Sodium- and chloride-dependent creatine transporter 1 | 1 |
| 20637607 | 10.1016/j.bmcl.2010.06.090 | High affinity choline transporter 1 | 1 |
| 24249037 | 10.1007/s11095-013-1232-z | No relevant target | 1 |
| 1082511 | 10.1021/jm00224a019 | Choline O-acetyltransferase | 1 |
Data from ChEMBL 36 via Core Engine