Compound Detail
CHEMBL176008
NITIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL176008 |
| Name | NITIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKMPSGJPCCJYRV-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.72
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.4
Kd 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| A2780/Taxol CHEMBL4483224 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| A549/TR CHEMBL4483226 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| quadruplex DNA CHEMBL3832742 | Kd | 5.82 | 5.82 | 1520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human LoVo cells assessed as reduction in cel... | 39213483 |
| A2780/Taxol | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human A2780T cells assessed as reduction in c... | 39213483 |
| A549/TR | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human A549/Taxol cells assessed as reduction ... | 39213483 |
| PC-3 | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human PC-3 cells assessed as reduction in cel... | 39213483 |
| quadruplex DNA | Kd | = | 1520.0 | nM | 5.82 | Displacement of ThT from human G4-quadruplex Bcl2 DNA 5'- CGGGCGCGGGAGGAAGGGGGCG... | 39213483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39213483 | 10.1021/acs.jnatprod.4c00416 | quadruplex DNA | 16 |
| 39213483 | 10.1021/acs.jnatprod.4c00416 | A-375 | 10 |
| 39213483 | 10.1021/acs.jnatprod.4c00416 | dsDNA | 2 |
| 24794108 | 10.1016/j.bmcl.2014.04.047 | Aromatic-L-amino-acid decarboxylase | 1 |
| 35168150 | 10.1016/j.ejmech.2022.114173 | Mycobacterium tuberculosis | 1 |
| 28628823 | 10.1016/j.ejmech.2017.06.005 | Mycobacterium tuberculosis | 1 |
| 39213483 | 10.1021/acs.jnatprod.4c00416 | Salmon testes DNA | 1 |
| 39213483 | 10.1021/acs.jnatprod.4c00416 | Calf thymus DNA | 1 |
| 39213483 | 10.1021/acs.jnatprod.4c00416 | LoVo | 1 |
| 39213483 | 10.1021/acs.jnatprod.4c00416 | A2780/Taxol | 1 |
| 39213483 | 10.1021/acs.jnatprod.4c00416 | A549/TR | 1 |
| 39213483 | 10.1021/acs.jnatprod.4c00416 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine