Compound Detail
CHEMBL3944645
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Cc1cc(C)cc(C2=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C(=O)Nc3c(Cl)cccc32)c1
Basic Information
| ChEMBL ID | CHEMBL3944645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYAKIRYXKXSQLN-YGKZAACZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
605.0
MW (Da)
5.59
ALogP
4
HBA
3
HBD
113.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 CHEMBL2146346 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Neurogenic locus notch homolog protein 3 CHEMBL3407319 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 | IC50 | = | 2.5 | nM | 8.6 | Biological Assay: The pharmacological properties of the compounds of this invent... | - |
| Neurogenic locus notch homolog protein 3 | IC50 | = | 5.4 | nM | 8.27 | Biological Assay: The pharmacological properties of the compounds of this invent... | - |
Data from ChEMBL 36 via Core Engine