Compound Detail
CHEMBL3415599
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Basic Information
| ChEMBL ID | CHEMBL3415599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MICOMLRETSSUOK-DZGCQCFKSA-N |
3
Targets
4
Activities
1
Assay Types
4
PK Parameters
9
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
0.56
ALogP
9
HBA
4
HBD
162.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 9.22 | 8.235 | 0.6 | 2 |
| Tyrosine-protein kinase Blk CHEMBL2250 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 270.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 19.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 30.0 | % | Rattus norvegicus |
| T1/2 | 2.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 0.6 | nM | 9.22 | Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed... | 25625541 |
| Tyrosine-protein kinase Blk | IC50 | = | 32.0 | nM | 7.5 | Inhibition of BLK (unknown origin) | 25625541 |
| Proto-oncogene tyrosine-protein kinase ROS | IC50 | = | 43.0 | nM | 7.37 | Inhibition of ROS (unknown origin) | 25625541 |
| Tyrosine-protein kinase SYK | IC50 | = | 56.0 | nM | 7.25 | Inhibition of Syk in anti-IgE-activated human basophils assessed as CysLT releas... | 25625541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25625541 | 10.1021/jm5018169 | Rattus norvegicus | 4 |
| 25625541 | 10.1021/jm5018169 | Tyrosine-protein kinase SYK | 3 |
| 25625541 | 10.1021/jm5018169 | Salmonella typhimurium | 2 |
| 25625541 | 10.1021/jm5018169 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 25625541 | 10.1021/jm5018169 | No relevant target | 1 |
| 25625541 | 10.1021/jm5018169 | Tyrosine-protein kinase Blk | 1 |
| 25625541 | 10.1021/jm5018169 | Proto-oncogene tyrosine-protein kinase ROS | 1 |
| 25625541 | 10.1021/jm5018169 | Calf thymus DNA | 1 |
| 25625541 | 10.1021/jm5018169 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine