Compound Detail
CHEMBL4458078
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Basic Information
| ChEMBL ID | CHEMBL4458078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAIAORGFMNXPOV-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.73
ALogP
4
HBA
3
HBD
104.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.06
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | Kd | 5.06 | 5.06 | 8800.0 | 1 |
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | Kd | = | 8800.0 | nM | 5.06 | Affinity Biochemical interaction (Competition binding assay) EUB0000166b AAK1 | - |
| AP2-associated protein kinase 1 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of AAK1 (unknown origin) using Fos-Nfluc, Cfluc-kinase and rabbit ret... | 32184967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | U2OS | 262 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 261 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 261 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724696 | U2OS | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL5060014 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5210307 | AP2-associated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5060014 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5060014 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5060014 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5060014 | Fibroblast growth factor receptor 3 | 1 |
| 32184967 | 10.1021/acsmedchemlett.9b00399 | AP2-associated protein kinase 1 | 1 |
| - | 10.1021/acschembio.2c00877 | Colon organoid | 1 |
| - | 10.6019/CHEMBL5060014 | Peregrin | 1 |
| - | 10.6019/CHEMBL5060014 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5060014 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5060014 | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine