Compound Detail
CHEMBL60606
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
FC(F)(F)c1ccc(C(OCCCc2c[nH]cn2)c2ccccc2)cc1.O=C(O)/C=C\C(=O)O
Basic Information
| ChEMBL ID | CHEMBL60606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWGZYHRGJTUGFE-BTJKTKAUSA-N |
| Parent Compound | CHEMBL1179108 |
| Active Moiety | CHEMBL1179108 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
5.17
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 199.53 | nM | 6.7 | In vitro antagonistic activity against histamine H3-receptor in an assay with K+... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00361-7 | Histamine H3 receptor | 2 |
| - | 10.1016/0960-894X(96)00361-7 | Histamine H1 receptor | 1 |
| - | 10.1016/0960-894X(96)00361-7 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine