Compound Detail
CHEMBL5207802
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5207802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBVSYAGHUCOXLY-CQSZACIVSA-N |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.05
ALogP
7
HBA
1
HBD
76.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
Ki 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Son of sevenless homolog 1 CHEMBL2079846 | Ki | 7.4 | 7.4 | 40.0 | 3 |
| Son of sevenless homolog 1 CHEMBL2079846 | IC50 | 5.89 | 5.89 | 1274.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.89 | 1274.0 | 1 |
| MKN-1 CHEMBL614352 | IC50 | 5.89 | 5.89 | 1274.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Son of sevenless homolog 1 | Ki | = | 40.0 | nM | 7.4 | Binding affinity to N-terminal his-TEV-Avi-tagged human recombinant SOS1 express... | 35833726 |
| Son of sevenless homolog 1 | Ki | = | 40.0 | nM | 7.4 | Binding affinity to SOS1 (unknown origin) assessed as inhibition constant by HTR... | 38430853 |
| Son of sevenless homolog 1 | Ki | = | 40.2 | nM | 7.4 | Inhibition of Labeled Tracer Ligand: Table 22: This Example illustrates that exe... | - |
| Unchecked | IC50 | = | 1274.0 | nM | 5.89 | Inhibition of ERK phosphorylation in human MKN-1 cells incubated for 0.5 to 1 hr... | 35833726 |
| MKN-1 | IC50 | = | 1274.0 | nM | 5.89 | Antiproliferative activity against human MKN-1 cells assessed as reduction in ce... | 38430853 |
| Son of sevenless homolog 1 | IC50 | = | 1274.0 | nM | 5.89 | Inhibiting SOS1-Mediated GTP Nucleotide Exchange by Blocking Mant-GDP Exchange: ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35833726 | 10.1021/acs.jmedchem.2c00741 | Son of sevenless homolog 1 | 1 |
| 35833726 | 10.1021/acs.jmedchem.2c00741 | Unchecked | 1 |
| 35833726 | 10.1021/acs.jmedchem.2c00741 | ADMET | 1 |
| 38430853 | 10.1016/j.ejmech.2024.116282 | Son of sevenless homolog 1 | 1 |
| 38430853 | 10.1016/j.ejmech.2024.116282 | MKN-1 | 1 |
Data from ChEMBL 36 via Core Engine