Compound Detail
CHEMBL3805931
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Basic Information
| ChEMBL ID | CHEMBL3805931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWPPGEGXTUMWMX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
3.23
ALogP
4
HBA
4
HBD
81.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase CHEMBL4527 | Kd | 8.05 | 8.05 | 9.0 | 1 |
| Mycocyclosin synthase CHEMBL1681615 | Kd | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TRAF2 and NCK-interacting protein kinase | Kd | = | 9.0 | nM | 8.05 | ADP-Glo Kinase Assay: The inhibitory properties of compounds were evaluated with... | - |
| Mycocyclosin synthase | Kd | = | 10600.0 | nM | 4.97 | Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 expressed in E... | 27002486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27002486 | 10.1021/acs.jmedchem.6b00007 | Mycocyclosin synthase | 1 |
Data from ChEMBL 36 via Core Engine