Compound Detail
CHEMBL22830
PYRROLIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL22830 |
| Name | PYRROLIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWRDLPDLKQPQOW-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
71.1
MW (Da)
0.37
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 4.6
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor CHEMBL2094110 | Kd | 4.6 | 4.6 | 25000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.7 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor | Kd | = | 25000.0 | nM | 4.6 | Ability to enhance the binding of (+/-)-[3H]nicotine to the rat brain P2 fractio... | 4032427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4032427 | 10.1021/jm00147a021 | Neuronal acetylcholine receptor | 7 |
| 21955456 | 10.1016/j.bmc.2011.08.058 | Proton-coupled amino acid transporter 1 | 2 |
| 22542016 | 10.1016/j.bmcl.2012.04.009 | No relevant target | 1 |
| 22542016 | 10.1016/j.bmcl.2012.04.009 | Unchecked | 1 |
| 22533875 | 10.1021/jm300343m | No relevant target | 1 |
| 20839888 | 10.1021/jf102087c | Echinochloa crus-galli | 1 |
| 24249037 | 10.1007/s11095-013-1232-z | No relevant target | 1 |
| 30423248 | 10.1021/acs.jmedchem.8b01308 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine