Compound Detail
CHEMBL445144
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Basic Information
| ChEMBL ID | CHEMBL445144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTTLBWDCTWVYKK-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
7
PK Parameters
2
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.42
ALogP
5
HBA
1
HBD
54.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.48 | 9.48 | 0.3 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 9.24 | 9.24 | 0.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 210.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 18.9 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 79.83 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 19.48 | nM | Rattus norvegicus |
| F | 9.0 | % | Rattus norvegicus |
| T1/2 | 1.7 | hr | Rattus norvegicus |
| T1/2 | - | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.33 | nM | 9.48 | In vitro binding affinity for human histamine H3 receptor using [3H]N-alpha-meth... | 16190774 |
| Histamine H3 receptor | Ki | = | 0.58 | nM | 9.24 | In vitro binding affinity for rat histamine H3 receptor using [3H]N-alpha-methyl... | 16190774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190774 | 10.1021/jm0504398 | ADMET | 7 |
| 16190774 | 10.1021/jm0504398 | Histamine H3 receptor | 2 |
Data from ChEMBL 36 via Core Engine