Compound Detail
CHEMBL1256967
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CC1(C)[C@H](NC(=O)/C(=N\OCc2cc(=O)c(O)cn2O)c2csc(N)n2)C(=O)N1OS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL1256967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLFSEZJCLYBFKQ-WXYNYTDUSA-N |
3
Targets
11
Activities
1
Assay Types
7
PK Parameters
20
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
-1.41
ALogP
14
HBA
5
HBD
236.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.32 | 5.3633 | 48.0 | 9 |
| AmpC CHEMBL1255151 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Beta-lactamase CHEMBL1255130 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1714.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 7.94 | mL.min-1.g-1 | Homo sapiens |
| CL | 11.48 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 9.8 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.0047 | - | Homo sapiens |
| T1/2 | 0.27 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine