Compound Detail
CHEMBL3949951
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NC(=O)[C@@H](CCCC(F)(F)F)[C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2cccc(OC3CC3)c2NC1=O
Basic Information
| ChEMBL ID | CHEMBL3949951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWHPGUZTSMXLGG-OSWQYVSFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
612.6
MW (Da)
5.25
ALogP
5
HBA
3
HBD
122.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 3 CHEMBL3407319 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Neurogenic locus notch homolog protein 1 CHEMBL2146346 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 3 | IC50 | = | 3.7 | nM | 8.43 | Biological Assay: The pharmacological properties of the compounds of this invent... | - |
| Neurogenic locus notch homolog protein 1 | IC50 | = | 5.8 | nM | 8.24 | Biological Assay: The pharmacological properties of the compounds of this invent... | - |
Data from ChEMBL 36 via Core Engine