Compound Detail
CHEMBL2165639
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N/C(=N\C(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1cnc(N)s1)NCCCc1cnc(N)s1
Basic Information
| ChEMBL ID | CHEMBL2165639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKJGQYUNKRCUJE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
733.1
MW (Da)
6.99
ALogP
8
HBA
6
HBD
212.8
PSA (Ų)
0.03
QED
3
Ro5 Violations
29
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL2882 | EC50 | 6.69 | 6.69 | 204.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | EC50 | = | 204.17 | nM | 6.69 | Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to ... | 22216892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22216892 | 10.1021/jm201128q | Histamine H2 receptor | 5 |
Data from ChEMBL 36 via Core Engine