Compound Detail
CHEMBL4569165
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Basic Information
| ChEMBL ID | CHEMBL4569165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMENAWJMILGLGG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
2.87
ALogP
8
HBA
2
HBD
103.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP/microtubule affinity-regulating kinase 3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculo... | 27491711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27491711 | 10.1016/j.bmcl.2016.02.003 | ATP-dependent translocase ABCB1 | 1 |
| 27491711 | 10.1016/j.bmcl.2016.02.003 | ADMET | 1 |
| 27491711 | 10.1016/j.bmcl.2016.02.003 | MAP/microtubule affinity-regulating kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine