Compound Detail
CHEMBL88074
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Basic Information
| ChEMBL ID | CHEMBL88074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJZBYEVCVWBYMY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
3.25
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Kd | 8.98 | 8.98 | 1.0 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 5.63 | 5.63 | 2344.2 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 4.16 | 4.16 | 69183.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 1.047 | nM | 8.98 | Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 ... | 9873585 |
| Histamine H3 receptor | Kd | = | 2344.23 | nM | 5.63 | Compound was tested for the agonist activity against histamine H3 receptor of gu... | 9873585 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 69183.1 | nM | 4.16 | Compound was tested for its agonist activity against M3-acetylcholine receptor o... | 9873585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873585 | 10.1016/s0960-894x(98)00461-2 | Histamine H1 receptor | 9 |
| 9873585 | 10.1016/s0960-894x(98)00461-2 | Histamine H2 receptor | 1 |
| 9873585 | 10.1016/s0960-894x(98)00461-2 | Histamine H3 receptor | 1 |
| 9873585 | 10.1016/s0960-894x(98)00461-2 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine