Compound Detail
CHEMBL1651367
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Basic Information
| ChEMBL ID | CHEMBL1651367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVOJULURLCZUDE-JXOAFFINSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
-1.98
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine deaminase CHEMBL2966 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine deaminase | Ki | = | 4200.0 | nM | 5.38 | Inhibition of calf intestine adenosine deaminase by Lineweaver-Burk plot analysi... | 21138280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20921305 | 10.1128/aac.01029-10 | Bacillus anthracis | 2 |
| 26883470 | 10.1021/acs.jnatprod.5b00987 | Unchecked | 2 |
| 21138280 | 10.1021/jm101286g | Adenosine deaminase | 1 |
| 20921305 | 10.1128/aac.01029-10 | J774.A1 | 1 |
Data from ChEMBL 36 via Core Engine