Compound Detail
CHEMBL273386
2,4-DINITROPHENOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL273386 |
| Name | 2,4-DINITROPHENOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UFBJCMHMOXMLKC-UHFFFAOYSA-N |
4
Targets
11
Activities
3
Assay Types
0
PK Parameters
20
Publications
13
Known Names
Molecular Properties
184.1
MW (Da)
1.21
ALogP
5
HBA
1
HBD
106.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 5 meas. best 4.51
IC50 5 meas. best 4.8
Ki 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 4.8 | 4.73 | 15851.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 4.51 | 4.51 | 31100.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 15851.0 | nM | 4.8 | Cytotoxicity against human MIA PaCa2 cells after 4 hrs by MTT assay | 17944451 |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human recombinant TTR Y78F mutant-mediated fibrillogenesis after 3... | 24147937 |
| MIA PaCa-2 | IC50 | = | 22101.0 | nM | 4.66 | Cytotoxicity against human MIA PaCa2 cells after 72 hrs by MTT assay | 17944451 |
| G-protein coupled receptor 35 | EC50 | = | 31100.0 | nM | 4.51 | Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole ce... | - |
| Unchecked | Ki | = | 50000.0 | nM | 4.3 | Inhibition of Escherichia coli HisG | 18778048 |
| HL-60 | IC50 | = | 98000.0 | nM | 4.01 | Antiproliferative activity against human HL60 cell line | 16821795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885861 | Rattus norvegicus | 1280 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| - | 10.1039/C2MD20210G | G-protein coupled receptor 35 | 6 |
| 29156129 | 10.1021/acs.jmedchem.7b01182 | ADMET | 3 |
| 19822705 | 10.1128/aac.00583-09 | Pseudomonas putida | 3 |
| 24147937 | 10.1021/jm401061w | Unchecked | 2 |
| 17944451 | 10.1021/jm070396q | MIA PaCa-2 | 2 |
| 17726098 | 10.1073/pnas.0704482104 | NON-PROTEIN TARGET | 2 |
| 17726098 | 10.1073/pnas.0704482104 | Caenorhabditis elegans | 2 |
| 17726098 | 10.1073/pnas.0704482104 | Drosophila | 2 |
| 9544209 | 10.1021/jm970678y | No relevant target | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 19049348 | 10.1021/jm8008713 | ADMET | 1 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 19635954 | 10.1128/aac.01709-08 | Bacillus subtilis | 1 |
| 17726098 | 10.1073/pnas.0704482104 | ADMET | 1 |
| 16821795 | 10.1021/jm060022h | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine