Compound Detail
CHEMBL4764860
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
Basic Information
| ChEMBL ID | CHEMBL4764860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKJGDLRLOAUIBJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4803235 |
| Active Moiety | CHEMBL4803235 |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
255.4
MW (Da)
3.25
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.92
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Left atrium CHEMBL2367407 | EC50 | 7.92 | 6.64 | 12.0 | 2 |
| Right atrium CHEMBL2367363 | EC50 | 7.18 | 7.18 | 66.0 | 1 |
| Ileum CHEMBL613680 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Left atrium | EC50 | = | 12.0 | nM | 7.92 | Negative inotropic activity in guinea pig left atrium assessed as decrease in 1 ... | 27267000 |
| Right atrium | EC50 | = | 66.0 | nM | 7.18 | Negative inotropic activity in guinea pig spontaneously beating right atrium ass... | 27267000 |
| Ileum | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of calcium-induced contraction in K+-depolarized guinea pig longitudi... | 27267000 |
| Left atrium | EC50 | = | 4360.0 | nM | 5.36 | Antiarrhythmic activity in 50 Hz sinusoidal alternating current-induced guinea p... | 27267000 |
| Unchecked | EC50 | = | 8400.0 | nM | 5.08 | Binding affinity to P-gp in dog MDCK-MDR1 cells using calcein-AM as substrate af... | 27267000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27267000 | 10.1016/j.ejmech.2016.05.046 | Left atrium | 6 |
| 27267000 | 10.1016/j.ejmech.2016.05.046 | ADMET | 6 |
| 27267000 | 10.1016/j.ejmech.2016.05.046 | Right atrium | 3 |
| 27267000 | 10.1016/j.ejmech.2016.05.046 | Ileum | 2 |
| 27267000 | 10.1016/j.ejmech.2016.05.046 | HepG2 | 2 |
| 27267000 | 10.1016/j.ejmech.2016.05.046 | Aorta | 1 |
| 27267000 | 10.1016/j.ejmech.2016.05.046 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine