Compound Detail
CHEMBL425863
MIBOLERONE 🧪 Phase II
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🧪 Phase II
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL425863 |
| Name | MIBOLERONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PTQMMNYJKCSPET-OMHQDGTGSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
14
Publications
11
Known Names
Molecular Properties
302.5
MW (Da)
4.13
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 |
Activity Summary
Ki 4 meas. best 9.12
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | Ki | 9.12 | 9.12 | 0.8 | 4 |
| Androgen receptor CHEMBL3072 | IC50 | 9.0 | 8.89 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 0.75 | nM | 9.12 | Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibo... | 11327585 |
| Androgen receptor | Ki | = | 0.75 | nM | 9.12 | Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mib... | 10966753 |
| Androgen receptor | Ki | = | 0.7586 | nM | 9.12 | Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... | 15715462 |
| Androgen receptor | Ki | = | 0.75 | nM | 9.12 | Inhibition of rat prostate cytosolic androgen receptor | 15454212 |
| Androgen receptor | IC50 | = | 1.0 | nM | 9.0 | Displacement of [3H]-MIB from rat prostate cytosolic androgen receptor by liquid... | 28174065 |
| Androgen receptor | IC50 | = | 1.66 | nM | 8.78 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3001307 | 10.1021/jm00151a009 | Estrogen receptor | 1 |
| 3001307 | 10.1021/jm00151a009 | Progesterone receptor | 1 |
| 3001307 | 10.1021/jm00151a009 | Androgen receptor | 1 |
| 3001307 | 10.1021/jm00151a009 | Mineralocorticoid receptor | 1 |
| 3001307 | 10.1021/jm00151a009 | Glucocorticoid receptor | 1 |
| 7966160 | 10.1021/jm00049a019 | Progesterone receptor | 1 |
| 7966160 | 10.1021/jm00049a019 | Androgen receptor | 1 |
| 15239655 | 10.1021/jm0499007 | Androgen receptor | 1 |
| 11327585 | 10.1016/s0960-894x(01)00146-9 | Androgen receptor | 1 |
| 10966753 | 10.1021/jm000163y | Androgen receptor | 1 |
| 15715462 | 10.1021/jm0495879 | Androgen receptor | 1 |
| 15454212 | 10.1016/j.bmcl.2004.08.031 | Androgen receptor | 1 |
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
| 28174065 | 10.1016/j.bmc.2017.01.018 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine