Compound Detail
CHEMBL4786316
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 | CHEMBL4786316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSASLBFVFUJZOD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
5
PK Parameters
7
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
1.71
ALogP
9
HBA
2
HBD
105.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.68
Kd 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | Kd | 7.85 | 7.85 | 14.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 52.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 8.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 250.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 60.0 | % | Rattus norvegicus |
| Fu | 0.03 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 0.21 | nM | 9.68 | Inhibition of recombinant full length SYK (unknown origin) by biochemical Omnia ... | 32717371 |
| Tyrosine-protein kinase ZAP-70 | Kd | = | 14.0 | nM | 7.85 | Binding affinity to ZAP70 (unknown origin) | 32717371 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of human ERG by plate-based planar patch clamp method | 32717371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32717371 | 10.1016/j.bmcl.2020.127433 | ADMET | 8 |
| 32717371 | 10.1016/j.bmcl.2020.127433 | No relevant target | 2 |
| 32717371 | 10.1016/j.bmcl.2020.127433 | Tyrosine-protein kinase SYK | 1 |
| 32717371 | 10.1016/j.bmcl.2020.127433 | SU-DHL-2 | 1 |
| 32717371 | 10.1016/j.bmcl.2020.127433 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 32717371 | 10.1016/j.bmcl.2020.127433 | Tyrosine-protein kinase ZAP-70 | 1 |
| 32717371 | 10.1016/j.bmcl.2020.127433 | T-cell | 1 |
Data from ChEMBL 36 via Core Engine