Compound Detail
CHEMBL5182431
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Basic Information
| ChEMBL ID | CHEMBL5182431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMNWOBLAZAYOSG-GOSISDBHSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.21
ALogP
4
HBA
1
HBD
75.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 7.96 | 7.465 | 11.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.18 | - | Homo sapiens |
| Fu | 0.045 | - | Rattus norvegicus |
| Fu | 0.13 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of recombinant human GST-Xa-tagged-AAK1 (30 to 330 residues) using (5... | 35171586 |
| AP2-associated protein kinase 1 | IC50 | = | 108.0 | nM | 6.97 | 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 | 14 |
| 35171586 | 10.1021/acs.jmedchem.1c01966 | AP2-associated protein kinase 1 | 3 |
Data from ChEMBL 36 via Core Engine