Compound Detail
CHEMBL401971
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Basic Information
| ChEMBL ID | CHEMBL401971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCLCDRRJZBNLBW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
1.33
ALogP
9
HBA
1
HBD
93.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.55 | 5.55 | 2804.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of DPP4 in human Caco-2 cells after 1 hr | 18485703 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 2804.0 | nM | 5.55 | Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic recep... | 18485703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18485703 | 10.1016/j.bmcl.2008.04.075 | Dipeptidyl peptidase 4 | 1 |
| 18485703 | 10.1016/j.bmcl.2008.04.075 | Muscarinic acetylcholine receptor M1 | 1 |
| 18485703 | 10.1016/j.bmcl.2008.04.075 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine