Compound Detail
CHEMBL98190
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Basic Information
| ChEMBL ID | CHEMBL98190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHFRKRHQARGMLK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179752 |
| Active Moiety | CHEMBL1179752 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
3.88
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Kd 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 6.35 | 6.35 | 446.7 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 446.68 | nM | 6.35 | Antimuscarinic potency is measured as its ability to block ACh-induced contracti... | 3806613 |
| Muscarinic acetylcholine receptor | IC50 | = | 2000.0 | nM | 5.7 | Compound was evaluated for the inhibition of binding of [3H]QNB (quinuclidinyl b... | 3806613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3806613 | 10.1021/jm00385a009 | Muscarinic acetylcholine receptor | 1 |
| 3806613 | 10.1021/jm00385a009 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine