Compound Detail
CHEMBL5179369
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Basic Information
| ChEMBL ID | CHEMBL5179369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTPQYFPFLKCJQN-KXKDPZRNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.2
MW (Da)
3.12
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UDP-galactopyranose mutase CHEMBL5169233 | Kd | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UDP-galactopyranose mutase | Kd | = | 17000.0 | nM | 4.77 | Inhibition of Klebsiella pneumoniae UGM expressed in Escherichia coli BL21(DE3) ... | 35777270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35777270 | 10.1016/j.bmc.2022.116896 | UDP-galactopyranose mutase | 5 |
| 35777270 | 10.1016/j.bmc.2022.116896 | Mycobacterium tuberculosis variant bovis | 1 |
Data from ChEMBL 36 via Core Engine