Compound Detail
CHEMBL446246
NARIRUTIN Enter ChEMBL ID:
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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL446246 |
| Name | NARIRUTIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXTFHSYLYXVTHC-AJHDJQPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
580.5
MW (Da)
-1.17
ALogP
14
HBA
8
HBD
225.1
PSA (Ų)
0.20
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.25 | 4.25 | 56500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 56500.0 | nM | 4.25 | Inhibition of PTP1B (unknown origin) using pNPP as substrate pretreated for 10 m... | 28454670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28479197 | 10.1016/j.bmcl.2017.04.076 | Thoracic aorta | 5 |
| 28479197 | 10.1016/j.bmcl.2017.04.076 | Unchecked | 3 |
| 28454670 | 10.1016/j.bmcl.2017.04.054 | HepG2 | 2 |
| 8882428 | 10.1021/np960057s | Monocyte | 1 |
| 10096854 | 10.1021/np980431j | Monocyte | 1 |
| 10096854 | 10.1021/np980431j | ADMET | 1 |
| 19944611 | 10.1016/j.bmc.2009.11.015 | NON-PROTEIN TARGET | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 28479197 | 10.1016/j.bmcl.2017.04.076 | RAW264.7 | 1 |
| 28454670 | 10.1016/j.bmcl.2017.04.054 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 28454670 | 10.1016/j.bmcl.2017.04.054 | Unchecked | 1 |
| 29763806 | 10.1016/j.ejmech.2018.05.004 | Amyloid-beta precursor protein | 1 |
| 29763806 | 10.1016/j.ejmech.2018.05.004 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine