Compound Detail
CHEMBL757
NANDROLONE 🧪 Phase III
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🧪 Phase III
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL757 |
| Name | NANDROLONE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | NPAGDVCDWIYMMC-IZPLOLCNSA-N |
5
Targets
8
Activities
3
Assay Types
0
PK Parameters
20
Publications
7
Known Names
1
Indications
Molecular Properties
274.4
MW (Da)
3.49
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Anemia, Aplastic
Activity Summary
IC50 4 meas. best 8.5
Ki 3 meas. best 8.68
Kd 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 8.5 | 8.5 | 3.1 | 1 |
| Progesterone receptor CHEMBL1909044 | Ki | 7.65 | 7.65 | 22.4 | 1 |
| Progesterone receptor CHEMBL1909044 | IC50 | 6.77 | 6.77 | 171.5 | 1 |
| Sex hormone-binding globulin CHEMBL3305 | Kd | 6.3 | 6.3 | 501.2 | 1 |
| Corticosteroid-binding globulin CHEMBL2421 | Ki | 6.14 | 6.14 | 724.4 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.46 | 4.46 | 35100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 2.099 | nM | 8.68 | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Miboler... | - |
| Androgen receptor | IC50 | = | 3.149 | nM | 8.5 | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Miboler... | - |
| Progesterone receptor | Ki | = | 22.4 | nM | 7.65 | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | - |
| Progesterone receptor | IC50 | = | 171.5 | nM | 6.77 | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | - |
| Sex hormone-binding globulin | Kd | = | 501.19 | nM | 6.3 | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... | 18330978 |
| Corticosteroid-binding globulin | Ki | = | 724.44 | nM | 6.14 | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | 15139751 |
| Solute carrier family 22 member 1 | IC50 | = | 35100.0 | nM | 4.46 | Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT... | 18788725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 926114 | 10.1021/jm00219a006 | Progesterone receptor | 3 |
| 2374140 | 10.1021/jm00170a008 | Androgen receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18788725 | 10.1021/jm8003152 | Solute carrier family 22 member 1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 7877147 | 10.1021/jm00005a009 | Androgen receptor | 2 |
| 3040999 | 10.1021/jm00392a022 | Androgen receptor | 2 |
| 2002446 | 10.1021/jm00107a021 | Androgen receptor | 2 |
| 7877147 | 10.1021/jm00005a009 | No relevant target | 1 |
| 9651159 | 10.1021/jm970732a | Corticosteroid-binding globulin | 1 |
| 8057280 | 10.1021/jm00041a010 | Corticosteroid-binding globulin | 1 |
| 7877147 | 10.1021/jm00005a009 | Molecular identity unknown | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 1597861 | 10.1021/jm00089a024 | Sex hormone-binding globulin | 1 |
| 1597861 | 10.1021/jm00089a024 | Mineralocorticoid receptor | 1 |
| 1597861 | 10.1021/jm00089a024 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine