Compound Detail
CHEMBL5201888
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Basic Information
| ChEMBL ID | CHEMBL5201888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJFMOJJCYFCTLU-AWEZNQCLSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.90
ALogP
6
HBA
1
HBD
87.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 7.92 | 7.695 | 12.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.17 | - | Homo sapiens |
| Fu | 0.077 | - | Rattus norvegicus |
| Fu | 0.1 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of recombinant human GST-Xa-tagged-AAK1 (30 to 330 residues) using (5... | 35171586 |
| AP2-associated protein kinase 1 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of full length human AAK1 expressed in HEK293F incubated for 3 hrs by... | 35171586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35171586 | 10.1021/acs.jmedchem.1c01966 | ADMET | 10 |
| 35171586 | 10.1021/acs.jmedchem.1c01966 | AP2-associated protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine