Compound Detail
CHEMBL3415591
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Basic Information
| ChEMBL ID | CHEMBL3415591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLNPTNLCXAVWMC-ZDUSSCGKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
1.11
ALogP
8
HBA
4
HBD
153.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 5.0 | nM | 8.3 | Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed... | 25625541 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of ERG channel expressed in human embryonic kidney cells assessed as ... | 25625541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25625541 | 10.1021/jm5018169 | Tyrosine-protein kinase SYK | 1 |
| 25625541 | 10.1021/jm5018169 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 25625541 | 10.1021/jm5018169 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine