Compound Detail
CHEMBL27979
A-349,821 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL27979 |
| Name | A-349,821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFUHKRLMDNFZED-SFTDATJTSA-N |
14
Targets
22
Activities
2
Assay Types
9
PK Parameters
19
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
4.47
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 19 meas. best 9.4
Kd 3 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 9.47 | 9.47 | 0.3 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 9.4 | 8.9867 | 0.4 | 3 |
| Histamine H3 receptor CHEMBL264 | Ki | 9.31 | 8.808 | 0.5 | 5 |
| Histamine H3 receptor CHEMBL4124 | Kd | 8.71 | 8.71 | 1.9 | 1 |
| Histamine H3 receptor CHEMBL264 | Kd | 8.67 | 8.67 | 2.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.03 | 6.03 | 933.2 | 1 |
| Alpha-2C adrenergic receptor CHEMBL1916 | Ki | 5.79 | 5.79 | 1621.8 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.79 | 5.79 | 1621.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.78 | 5.78 | 1659.6 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.63 | 5.63 | 2344.2 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.45 | 5.45 | 3548.1 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.31 | 5.31 | 4897.8 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.01 | 5.01 | 9772.4 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.01 | 5.01 | 9772.4 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 16.67 | mL.min-1.kg-1 | Cercopithecidae |
| CL | 10.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 402.3 | nM | Cercopithecidae |
| Cmax | 733.61 | nM | Canis lupus familiaris |
| F | 78.0 | % | Cercopithecidae |
| F | 33.0 | % | Canis lupus familiaris |
| T1/2 | 5.3 | hr | Cercopithecidae |
| T1/2 | 2.6 | hr | Canis lupus familiaris |
| Vd | 7.5 | L.kg-1 | Cercopithecidae |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine