Compound Detail
CHEMBL4870662
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Basic Information
| ChEMBL ID | CHEMBL4870662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLLYLCMRIXFFOH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
4.53
ALogP
6
HBA
0
HBD
48.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Serine/threonine-protein kinase Nek2 CHEMBL3835 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of FLT3 (unknown origin) using 5' FAM-EPLYWSFPA peptide as a substrat... | 34479037 |
| Serine/threonine-protein kinase Nek2 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of NEK2 (unknown origin) using 5' FAM-KKLNRTLSVA-COOH peptide as a su... | 34479037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34479037 | 10.1016/j.ejmech.2021.113776 | MOLM-14 | 3 |
| 34479037 | 10.1016/j.ejmech.2021.113776 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 34479037 | 10.1016/j.ejmech.2021.113776 | Serine/threonine-protein kinase Nek2 | 1 |
Data from ChEMBL 36 via Core Engine