Compound Detail
CHEMBL313301
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Basic Information
| ChEMBL ID | CHEMBL313301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLYOQBNASITWKA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.2
MW (Da)
2.94
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Kd | 9.15 | 9.045 | 0.7 | 2 |
| Histamine H3 receptor CHEMBL5076 | Kd | 5.84 | 5.84 | 1445.4 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 4.19 | 4.19 | 64565.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 0.7079 | nM | 9.15 | Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 ... | 9873585 |
| Histamine H1 receptor | Kd | = | 1.148 | nM | 8.94 | Compound was tested for the contractile effects antagonized by mepyramine (1-100... | 9873585 |
| Histamine H3 receptor | Kd | = | 1445.44 | nM | 5.84 | Compound was tested for the agonist activity against histamine H3 receptor of gu... | 9873585 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 64565.42 | nM | 4.19 | 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