Compound Detail
CHEMBL1541943
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CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21
Basic Information
| ChEMBL ID | CHEMBL1541943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSFVEAGQLNHYTR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
503.5
MW (Da)
3.04
ALogP
7
HBA
1
HBD
100.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.31 | 4.31 | 48479.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.29 | 4.29 | 50990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 48479.0 | nM | 4.31 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
| No relevant target | IC50 | = | 50990.0 | nM | 4.29 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
Data from ChEMBL 36 via Core Engine