Compound Detail
CHEMBL5284648
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COc1cc2nc(C)nc(N[C@H](C)c3cc(N)cc(C(F)(F)F)c3)c2cc1C1CCN(C(=O)COCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL5284648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIHGVELLLJOFHL-AHHHCUNGSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1030.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.76
EC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Son of sevenless homolog 1 CHEMBL2079846 | Kd | 7.76 | 7.285 | 17.4 | 2 |
| von Hippel-Lindau disease tumor suppressor/SOS1 CHEMBL5169070 | EC50 | 7.31 | 7.31 | 49.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Son of sevenless homolog 1 | Kd | = | 17.4 | nM | 7.76 | Binding affinity to GST-tagged human SOS1 (564 to 1049 residues) expressed in Es... | 36897932 |
| von Hippel-Lindau disease tumor suppressor/SOS1 | EC50 | = | 49.3 | nM | 7.31 | PROTAC activity at VHL/SOS1 in human NCI-H358 cells assessed as induction of SOS... | 36897932 |
| Son of sevenless homolog 1 | Kd | = | 155.0 | nM | 6.81 | Binding affinity to GST-tagged human SOS1 (564 to 1049 residues) expressed in Es... | 36897932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36897932 | 10.1021/acs.jmedchem.3c00075 | von Hippel-Lindau disease tumor suppressor/SOS1 | 4 |
| 36897932 | 10.1021/acs.jmedchem.3c00075 | Son of sevenless homolog 1 | 3 |
Data from ChEMBL 36 via Core Engine