Compound Detail
CHEMBL6029861
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Cc1c([C@@H](C)Nc2nnc(C)c3ccc(N4CCC(C)(N)CC4)cc23)cccc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL6029861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXUYMLXTRNYSPR-MRXNPFEDSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
5.76
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Ki 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Son of sevenless homolog 1 CHEMBL2079846 | Ki | 10.3 | 10.3 | 0.1 | 1 |
| Son of sevenless homolog 1 CHEMBL2079846 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Son of sevenless homolog 1 | Ki | = | 0.05 | nM | 10.3 | Inhibition of Labeled Tracer Ligand: Table 22: This Example illustrates that exe... | - |
| Son of sevenless homolog 1 | IC50 | = | 54.0 | nM | 7.27 | Inhibiting SOS1-Mediated GTP Nucleotide Exchange by Blocking Mant-GDP Exchange: ... | - |
Data from ChEMBL 36 via Core Engine