Compound Detail
CHEMBL3415608
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Basic Information
| ChEMBL ID | CHEMBL3415608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVYPOHDPGYBAGO-UONOGXRCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.41
ALogP
5
HBA
4
HBD
122.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Testis-specific serine/threonine-protein kinase 3 CHEMBL3414416 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 7.0 | nM | 8.15 | Inhibition of full-length GST-tagged human Syk preincubated for 10 mins followed... | 25625541 |
| Leucine-rich repeat serine/threonine-protein kinase 2 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of LRRK2 (unknown origin) | 25625541 |
| Serine/threonine-protein kinase Chk2 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of CHK2 (unknown origin) | 25625541 |
| Testis-specific serine/threonine-protein kinase 3 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of TSSK3 (unknown origin) | 25625541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25625541 | 10.1021/jm5018169 | Tyrosine-protein kinase SYK | 1 |
| 25625541 | 10.1021/jm5018169 | Calf thymus DNA | 1 |
| 25625541 | 10.1021/jm5018169 | Unchecked | 1 |
| 25625541 | 10.1021/jm5018169 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
| 25625541 | 10.1021/jm5018169 | Serine/threonine-protein kinase Chk2 | 1 |
| 25625541 | 10.1021/jm5018169 | Testis-specific serine/threonine-protein kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine