Compound Detail
CHEMBL4780117
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL4780117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CURJMMDVBCSAEU-AFUKFTIKSA-N |
1
Targets
2
Activities
2
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1766.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.19
Kd 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E CHEMBL4848 | Kd | 8.66 | 8.66 | 2.2 | 1 |
| Eukaryotic translation initiation factor 4E CHEMBL4848 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 3.1 | 10^-6/M/s | Homo sapiens |
| T1/2 | 0.08333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 4E | Kd | = | 2.2 | nM | 8.66 | Binding affinity to recombinant human 10His-tagged eIF4E expressed in Escherichi... | 32739551 |
| Eukaryotic translation initiation factor 4E | IC50 | = | 6.5 | nM | 8.19 | Inhibition of recombinant human 10His-tagged eIF4E expressed in Escherichia coli... | 32739551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32739551 | 10.1016/j.ejmech.2020.112655 | Eukaryotic translation initiation factor 4E | 6 |
| 32739551 | 10.1016/j.ejmech.2020.112655 | ADMET | 3 |
| 32739551 | 10.1016/j.ejmech.2020.112655 | Eukaryotic translation initiation factor 4E/Eukaryotic translation initiation factor 4E-binding protein 1 | 3 |
| 32739551 | 10.1016/j.ejmech.2020.112655 | EIF4E/EIF4G1 | 3 |
| 32739551 | 10.1016/j.ejmech.2020.112655 | MDA-MB-231 | 1 |
| 32739551 | 10.1016/j.ejmech.2020.112655 | MCF7 | 1 |
| 32739551 | 10.1016/j.ejmech.2020.112655 | T47D | 1 |
Data from ChEMBL 36 via Core Engine