Compound Detail
CHEMBL214393
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O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL214393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJJCXFVJDGTHFX-XVFCMESISA-N |
1
Targets
5
Activities
2
Assay Types
1
PK Parameters
10
Publications
0
Known Names
Molecular Properties
324.2
MW (Da)
-2.73
ALogP
8
HBA
5
HBD
171.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas.
Kd 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein argonaute-2 CHEMBL4680043 | Kd | 4.82 | 4.82 | 15000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 6.6 | 10^4/M | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein argonaute-2 | Kd | = | 15000.0 | nM | 4.82 | Binding affinity to human Argonaut protein 2 PAZ domain assessed as dissociation... | 33132114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33132114 | 10.1016/j.bmcl.2020.127637 | Protein argonaute-2 | 4 |
| 17101674 | 10.1128/aac.00400-06 | UMP-CMP kinase | 3 |
| 17999967 | 10.1128/aac.01184-07 | UMP-CMP kinase | 3 |
| 16942026 | 10.1021/jm060485n | P2Y purinoceptor 6 | 1 |
| 22991951 | 10.1021/jm301176r | Orotidine phosphate decarboxylase | 1 |
| 22991951 | 10.1021/jm301176r | Uridine 5'-monophosphate synthase | 1 |
| 22991951 | 10.1021/jm301176r | Orotidine 5'-phosphate decarboxylase | 1 |
| 23122937 | 10.1016/j.bmc.2012.09.067 | Unchecked | 1 |
| 29681152 | 10.1021/acs.jmedchem.7b01906 | No relevant target | 1 |
| 33488967 | 10.1021/acsmedchemlett.0c00440 | Protein cereblon | 1 |
Data from ChEMBL 36 via Core Engine