Compound Detail
CHEMBL1571122
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CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)s1
Basic Information
| ChEMBL ID | CHEMBL1571122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUEHSVKZYVNCMJ-VBKFSLOCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
2.48
ALogP
9
HBA
3
HBD
150.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.19 | 4.19 | 64384.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.01 | 4.01 | 97567.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 64384.0 | nM | 4.19 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
| Unchecked | IC50 | = | 97567.0 | nM | 4.01 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
Data from ChEMBL 36 via Core Engine