Compound Detail
CHEMBL3945182
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C=CC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL3945182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFSUDFPUVQNBSA-WZOHSFFVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
495.0
MW (Da)
3.94
ALogP
4
HBA
2
HBD
104.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 CHEMBL2146346 | IC50 | 7.37 | 7.37 | 42.4 | 2 |
| Recombining binding protein suppressor of hairless CHEMBL4105709 | IC50 | 7.13 | 7.13 | 74.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neurogenic locus notch homolog protein 1 | IC50 | = | 42.4 | nM | 7.37 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
| Neurogenic locus notch homolog protein 1 | IC50 | = | 42.4 | nM | 7.37 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
| Recombining binding protein suppressor of hairless | IC50 | = | 74.5 | nM | 7.13 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
| Recombining binding protein suppressor of hairless | IC50 | = | 74.5 | nM | 7.13 | Transactivation Assay: The Notch-CBF1 (C-promoter binding factor I) cell based t... | - |
Data from ChEMBL 36 via Core Engine