Compound Detail
CHEMBL1899240
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Basic Information
| ChEMBL ID | CHEMBL1899240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYJLJEQLGAPESK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
277.2
MW (Da)
2.35
ALogP
6
HBA
1
HBD
128.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.64 | 4.64 | 23101.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.49 | 4.49 | 32307.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 23101.0 | nM | 4.64 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
| No relevant target | IC50 | = | 32307.0 | nM | 4.49 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
Data from ChEMBL 36 via Core Engine