Compound Detail
CHEMBL4637943
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CN(C)C[C@@H]1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CCO1
Basic Information
| ChEMBL ID | CHEMBL4637943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWYBMVPPYXLVRT-JOCHJYFZSA-N |
1
Targets
3
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
3.78
ALogP
8
HBA
2
HBD
86.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.96
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | EC50 | 6.96 | 6.8 | 109.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.833 | mL.min-1.kg-1 | Homo sapiens |
| F | 2.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 0.9 | nM | 9.05 | Inhibition of SYK (unknown origin) using XL665-labeled peptide as substrate in p... | 32292557 |
| Tyrosine-protein kinase SYK | EC50 | = | 109.0 | nM | 6.96 | Inhibition of SYK in human Ramos cells assessed as reduction in antihuman IgM F(... | 32292557 |
| Tyrosine-protein kinase SYK | EC50 | = | 231.0 | nM | 6.64 | Inhibition of SYK in human whole blood assessed as reduction in anti-FCepsilonR1... | 32292557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32292557 | 10.1021/acsmedchemlett.9b00621 | Tyrosine-protein kinase SYK | 4 |
| 32292557 | 10.1021/acsmedchemlett.9b00621 | ADMET | 4 |
| 32292557 | 10.1021/acsmedchemlett.9b00621 | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine