Compound Detail
CHEMBL3265033
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Basic Information
| ChEMBL ID | CHEMBL3265033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBFGJTSNMVBWKL-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
3.25
ALogP
8
HBA
2
HBD
108.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.48
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.68 | 8.195 | 2.1 | 2 |
| Tyrosine-protein kinase SYK CHEMBL2599 | EC50 | 7.48 | 6.9367 | 33.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 8.167 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 2.1 | nM | 8.68 | Inhibition of full length Syk (unknown origin) using biotinylated peptide substr... | 24779514 |
| Tyrosine-protein kinase SYK | IC50 | = | 19.5 | nM | 7.71 | Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in p... | 32292557 |
| Tyrosine-protein kinase SYK | EC50 | = | 33.0 | nM | 7.48 | Inhibition of SYK in human Ramos cells assessed as reduction in antihuman IgM F(... | 32292557 |
| Tyrosine-protein kinase SYK | EC50 | = | 40.0 | nM | 7.4 | Inhibition of Syk in antihuman IgM-stimulated human Ramos cells assessed as decr... | 24779514 |
| Tyrosine-protein kinase SYK | EC50 | = | 1185.0 | nM | 5.93 | Inhibition of SYK in human whole blood assessed as reduction in anti-FCepsilonR1... | 32292557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24779514 | 10.1021/jm500228a | Tyrosine-protein kinase SYK | 3 |
| 32292557 | 10.1021/acsmedchemlett.9b00621 | Tyrosine-protein kinase SYK | 3 |
| 32292557 | 10.1021/acsmedchemlett.9b00621 | No relevant target | 3 |
| 24779514 | 10.1021/jm500228a | Liver microsome | 1 |
| 32292557 | 10.1021/acsmedchemlett.9b00621 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine