Compound Detail
CHEMBL4238599
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Basic Information
| ChEMBL ID | CHEMBL4238599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTTDVYCKFQYVNN-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
9
PK Parameters
12
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
4.68
ALogP
5
HBA
1
HBD
112.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 8.19
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myc proto-oncogene protein CHEMBL1250348 | Kd | 8.19 | 8.19 | 6.5 | 3 |
| c-Myc/c-Max CHEMBL4106127 | Kd | 8.19 | 8.19 | 6.5 | 1 |
| c-Myc/Max CHEMBL3301395 | Kd | 7.87 | 7.87 | 13.4 | 2 |
| Myc proto-oncogene protein CHEMBL1250348 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 258.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1450.0 | ng.hr.mL-1 | Mus musculus |
| CL | 65.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 115.0 | mL.min-1.kg-1 | Mus musculus |
| MRT | 1.7 | hr | Rattus norvegicus |
| MRT | 0.94 | hr | Mus musculus |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| T1/2 | 1.0 | hr | Mus musculus |
| T1/2 | 1.84 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myc proto-oncogene protein | Kd | = | 6.5 | nM | 8.19 | Binding affinity to His-tagged Myc (unknown origin) expressed in Escherichia col... | 30037753 |
| Myc proto-oncogene protein | Kd | = | 6.5 | nM | 8.19 | Binding affinity to His-tagged and maltose binding protein fused Myc bHLH-LZ dom... | - |
| c-Myc/c-Max | Kd | = | 6.5 | nM | 8.19 | Inhibition of c-Myc to Max protein dimerization (unknown origin) by fluorescence... | 36209705 |
| Myc proto-oncogene protein | Kd | = | 6.5 | nM | 8.19 | Binding affinity to N-terminal His-tagged maltose binding protein-fused MYC (unk... | 38340508 |
| c-Myc/Max | Kd | = | 13.4 | nM | 7.87 | Binding affinity to His-tagged and maltose binding protein fused Myc bHLH-LZ dom... | - |
| c-Myc/Max | Kd | = | 13.4 | nM | 7.87 | Binding affinity to heterodimer of N-terminal His-tagged maltose binding protein... | 38340508 |
| Myc proto-oncogene protein | IC50 | = | 1000.0 | nM | 6.0 | Binding affinity to ATG-Myc (unknown origin) expressed in CEF cells assessed as ... | 30037753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30037753 | 10.1016/j.bmc.2018.07.019 | Rattus norvegicus | 6 |
| 30037753 | 10.1016/j.bmc.2018.07.019 | Mus musculus | 6 |
| 30037753 | 10.1016/j.bmc.2018.07.019 | ADMET | 5 |
| 30037753 | 10.1016/j.bmc.2018.07.019 | Myc proto-oncogene protein | 3 |
| 30037753 | 10.1016/j.bmc.2018.07.019 | c-Myc/Max | 2 |
| 30037753 | 10.1016/j.bmc.2018.07.019 | Protein max | 2 |
| 30037753 | 10.1016/j.bmc.2018.07.019 | dsDNA | 1 |
| 30037753 | 10.1016/j.bmc.2018.07.019 | No relevant target | 1 |
| 36209705 | 10.1016/j.ejmech.2022.114779 | c-Myc/c-Max | 1 |
| 38340508 | 10.1016/j.ejmech.2024.116194 | Myc proto-oncogene protein | 1 |
| 38340508 | 10.1016/j.ejmech.2024.116194 | c-Myc/Max | 1 |
| 38340508 | 10.1016/j.ejmech.2024.116194 | Protein max | 1 |
Data from ChEMBL 36 via Core Engine