Compound Detail
CHEMBL312073
NEVADENSIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL312073 |
| Name | NEVADENSIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRFBMPVGAYGGJE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
2.90
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.29 | 5.29 | 5080.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.14 | 5.14 | 7244.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 5000.0 | nM | 5.3 | Antiproliferative activity against human HCT-116 cells | 38142509 |
| SW480 | IC50 | = | 5000.0 | nM | 5.3 | Antiproliferative activity against human SW480 cells | 38142509 |
| RAW264.7 | IC50 | = | 5080.0 | nM | 5.29 | Inhibition of NO production in LPS-stimulated mouse RAW264.7 cells pre-incubated... | 25176187 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 7244.36 | nM | 5.14 | Inhibition of rat lens aldose reductase | 18585047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25176187 | 10.1016/j.bmcl.2014.08.004 | RAW264.7 | 2 |
| 9632366 | 10.1021/jm970842h | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| - | 10.1021/np50067a028 | Artemia | 1 |
| 2607357 | 10.1021/np50065a011 | Unchecked | 1 |
| 16038568 | 10.1021/np050132b | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
| 38142509 | 10.1016/j.ejmech.2023.116040 | HCT-116 | 1 |
| 38142509 | 10.1016/j.ejmech.2023.116040 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine