Compound Detail
CHEMBL2203870
AZEPINOMYCIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2203870 |
| Name | AZEPINOMYCIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCLYCONTUAROEE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
-1.12
ALogP
4
HBA
4
HBD
90.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.6
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.6 | 5.6 | 2500.0 | 2 |
| Guanine deaminase CHEMBL3129 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2500.0 | nM | 5.6 | Competitive inhibition of rabbit liver guanase assessed as guanine hydrolysis ra... | 23084905 |
| Unchecked | Ki | = | 2500.0 | nM | 5.6 | Inhibition of rabbit liver guanase assessed as inhibition of guanine hydrolysis ... | 23891230 |
| Guanine deaminase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of guanase | 23084905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23084905 | 10.1016/j.bmcl.2012.09.053 | Guanine deaminase | 1 |
| 23084905 | 10.1016/j.bmcl.2012.09.053 | Unchecked | 1 |
| 23891230 | 10.1016/j.bmc.2013.06.069 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine