Compound Detail
CHEMBL3799389
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Basic Information
| ChEMBL ID | CHEMBL3799389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQMFNWQNASFQAE-PLWLMNJCSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.00
ALogP
5
HBA
4
HBD
102.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Death-associated protein kinase 3 CHEMBL2468 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Death-associated protein kinase 1 CHEMBL2558 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Death-associated protein kinase 2 CHEMBL3123 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B | IC50 | = | 8.0 | nM | 8.1 | Inhibition of DRAK2 (unknown origin) using MRLC3 peptide as substrate incubated ... | 27106709 |
| Serine/threonine-protein kinase 17A | IC50 | = | 21.0 | nM | 7.68 | Inhibition of DRAK1 (unknown origin) | 27106709 |
| Death-associated protein kinase 3 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of DAPK3 (unknown origin) | 27106709 |
| Death-associated protein kinase 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of DAPK1 (unknown origin) | 27106709 |
| Death-associated protein kinase 2 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of DAPK2 (unknown origin) | 27106709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27106709 | 10.1016/j.bmcl.2016.03.111 | Death-associated protein kinase 3 | 1 |
| 27106709 | 10.1016/j.bmcl.2016.03.111 | Death-associated protein kinase 2 | 1 |
| 27106709 | 10.1016/j.bmcl.2016.03.111 | Death-associated protein kinase 1 | 1 |
| 27106709 | 10.1016/j.bmcl.2016.03.111 | Serine/threonine-protein kinase 17A | 1 |
| 27106709 | 10.1016/j.bmcl.2016.03.111 | Serine/threonine-protein kinase 17B | 1 |
Data from ChEMBL 36 via Core Engine