Compound Detail
CHEMBL2165644
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N/C(=N\C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1c[nH]cn1)NCCCc1c[nH]cn1
Basic Information
| ChEMBL ID | CHEMBL2165644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRBIFKPSERWRDO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
669.0
MW (Da)
6.36
ALogP
4
HBA
6
HBD
192.3
PSA (Ų)
0.03
QED
3
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | EC50 | 7.46 | 7.46 | 34.7 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 6.35 | 6.35 | 446.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | EC50 | = | 34.67 | nM | 7.46 | Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to ... | 22216892 |
| Histamine H3 receptor | EC50 | = | 446.68 | nM | 6.35 | Agonist activity at human H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells ... | 22216892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22216892 | 10.1021/jm201128q | Histamine H2 receptor | 5 |
| 22216892 | 10.1021/jm201128q | Histamine H4 receptor | 2 |
| 22216892 | 10.1021/jm201128q | Histamine H3 receptor | 2 |
| 22216892 | 10.1021/jm201128q | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine