Compound Detail
CHEMBL3911668
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Cc1ncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(C5COC5)CC4)c(OCCO)c3)n2)nc1N
Basic Information
| ChEMBL ID | CHEMBL3911668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFSWUEFCKBOGCG-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
1.71
ALogP
12
HBA
3
HBD
139.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.06 | 8.06 | 8.7 | 6 |
| CD63 antigen CHEMBL3713303 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 8.7 | nM | 8.06 | High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 8.7 | nM | 8.06 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Immunoassay: Syk ... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 8.7 | nM | 8.06 | Biochemical Assay: Syk activity was measured using KinEASE (Cisbio), a time-reso... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 8.7 | nM | 8.06 | High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 8.7 | nM | 8.06 | High Throughput Biochemical Assay: Syk activity was measured using KinEASE (Cisb... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 8.7 | nM | 8.06 | High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (... | - |
| CD63 antigen | IC50 | = | 167.0 | nM | 6.78 | High Throughput Syk Biochemical Assay: Syk activity was measured using KinEASE (... | - |
Data from ChEMBL 36 via Core Engine