Compound Detail
CHEMBL1200845
HALCINONIDE 💊 Approved Drug
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💊 Approved Drug
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
Basic Information
| ChEMBL ID | CHEMBL1200845 |
| Name | HALCINONIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | MUQNGPZZQDCDFT-JNQJZLCISA-N |
| Therapeutic | ✓ Yes |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
9
Known Names
1
Indications
1
Mechanisms
Molecular Properties
455.0
MW (Da)
3.89
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1974 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glucocorticoid receptor agonist | AGONIST | Glucocorticoid receptor | ✓ | ✓ |
Indications
Skin Diseases
ATC Classification
D07AD02
halcinonide
Level 1: DERMATOLOGICALS
Level 2: CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
Activity Summary
IC50 3 meas. best 9.03
Ki 3 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL1909044 | Ki | 9.92 | 9.92 | 0.1 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 9.13 | 9.13 | 0.7 | 1 |
| Progesterone receptor CHEMBL1909044 | IC50 | 9.03 | 9.03 | 0.9 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.79 | 8.79 | 1.6 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 6.05 | 6.05 | 885.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 0.121 | nM | 9.92 | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | - |
| Glucocorticoid receptor | Ki | = | 0.732 | nM | 9.13 | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | - |
| Progesterone receptor | IC50 | = | 0.93 | nM | 9.03 | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | - |
| Glucocorticoid receptor | IC50 | = | 1.611 | nM | 8.79 | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | - |
| Androgen receptor | Ki | = | 590.0 | nM | 6.23 | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Miboler... | - |
| Androgen receptor | IC50 | = | 885.0 | nM | 6.05 | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Miboler... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 6827553 | 10.1021/jm00357a003 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine