Compound Detail
CHEMBL41172
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Basic Information
| ChEMBL ID | CHEMBL41172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HORNXRXVQWOLPJ-UHFFFAOYSA-N |
1
Targets
4
Activities
4
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
128.6
MW (Da)
2.05
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
IC50 1 meas.
Kd 1 meas. best 4.25
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endolysin CHEMBL5206 | Kd | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endolysin | Kd | = | 56000.0 | nM | 4.25 | Dissociation constant against T4 lysozyme mutant L99A/M102Q | 15916423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31202993 | 10.1016/j.ejmech.2019.06.011 | Oxysterols receptor LXR-beta | 4 |
| 16279782 | 10.1021/jm050567w | L1210 | 3 |
| 11754587 | 10.1021/jm010289a | No relevant target | 2 |
| 10956200 | 10.1021/jm0000822 | No relevant target | 2 |
| 18666772 | 10.1021/jm8005228 | No relevant target | 2 |
| 894678 | 10.1021/jm00218a017 | No relevant target | 2 |
| 3172126 | 10.1021/jm00118a010 | ADMET | 1 |
| 3172126 | 10.1021/jm00118a010 | No relevant target | 1 |
| 3172126 | 10.1021/jm00118a010 | Albumin | 1 |
| 10956200 | 10.1021/jm0000822 | ADMET | 1 |
| 11448232 | 10.1021/jm0100990 | No relevant target | 1 |
| 15857133 | 10.1021/jm048980b | No relevant target | 1 |
| 15916423 | 10.1021/jm0491187 | Endolysin | 1 |
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
| 19056282 | 10.1016/j.bmc.2008.11.040 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine