Compound Detail
CHEMBL1873703
DIELDRIN 🧪 Phase II
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🧪 Phase II
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl
Basic Information
| ChEMBL ID | CHEMBL1873703 |
| Name | DIELDRIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DFBKLUNHFCTMDC-PICURKEMSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
8
Known Names
Molecular Properties
380.9
MW (Da)
4.48
ALogP
1
HBA
0
HBD
12.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 3 meas. best 6.47
Ki 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.47 | 6.47 | 335.0 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 5.34 | 5.34 | 4590.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 5.16 | 5.16 | 6885.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 4.37 | 4.37 | 43193.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 300.0 | nM | 6.52 | DRUGMATRIX: GABAA, Chloride Channel, TBOB radioligand binding (ligand: [3H] TBOB... | - |
| Unchecked | IC50 | = | 335.0 | nM | 6.47 | DRUGMATRIX: GABAA, Chloride Channel, TBOB radioligand binding (ligand: [3H] TBOB... | - |
| Androgen receptor | Ki | = | 4590.0 | nM | 5.34 | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Miboler... | - |
| Androgen receptor | IC50 | = | 6885.0 | nM | 5.16 | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Miboler... | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 43193.0 | nM | 4.37 | DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substra... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17626882 | 10.1126/science.1138275 | No relevant target | 2 |
| 6094812 | 10.1021/jm00378a021 | ADMET | 1 |
| 17626882 | 10.1126/science.1138275 | ADMET | 1 |
| 17626882 | 10.1126/science.1138275 | Homo sapiens | 1 |
| 18570364 | 10.1021/jm800191a | Musca domestica | 1 |
Data from ChEMBL 36 via Core Engine