Compound Detail
CHEMBL276849
2-PYRROLIDONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL276849 |
| Name | 2-PYRROLIDONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNJBEVLQSNELDL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
85.1
MW (Da)
-0.10
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.72
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Olfactory receptor 51E2 CHEMBL4523454 | EC50 | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Olfactory receptor 51E2 | EC50 | = | 1.9 | nM | 8.72 | Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1847429 | 10.1021/jm00106a025 | Mus musculus | 7 |
| 6945436 | 10.1021/jm00141a016 | Erythroleukemia cell line | 4 |
| 10762036 | 10.1016/s0960-894x(00)00064-0 | Mus musculus | 4 |
| 1847429 | 10.1021/jm00106a025 | No relevant target | 3 |
| 1847429 | 10.1021/jm00106a025 | Rattus norvegicus | 3 |
| 7837228 | 10.1021/jm00001a022 | No relevant target | 2 |
| 8627613 | 10.1021/jm9600196 | Mus musculus | 2 |
| 22769561 | 10.1021/jf302075w | Meloidogyne incognita | 2 |
| 12061887 | 10.1021/jm0111245 | ADMET | 1 |
| 8627613 | 10.1021/jm9600196 | ADMET | 1 |
| 8627613 | 10.1021/jm9600196 | GABA-A receptor; anion channel | 1 |
| 11063627 | 10.1021/jm000921k | ADMET | 1 |
Data from ChEMBL 36 via Core Engine