Compound Detail
CHEMBL3137317
SONIDEGIB PHOSPHATE 💊 Approved Drug
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💊 Approved Drug
Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.O=P(O)(O)O.O=P(O)(O)O
Basic Information
| ChEMBL ID | CHEMBL3137317 |
| Name | SONIDEGIB PHOSPHATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RWIVSVMMGFFZIJ-VWDRLOGHSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL2105737 |
| Active Moiety | CHEMBL2105737 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
485.5
MW (Da)
5.82
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Smoothened homolog inhibitor | INHIBITOR | Protein smoothened | ✓ | ✓ |
Indications
Carcinoma, Basal Cell
Drug Warnings
Black Box Warning
teratogenicity
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein smoothened CHEMBL6080 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Protein smoothened CHEMBL5971 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein smoothened | IC50 | = | 1.3 | nM | 8.89 | Antagonist activity at mouse SMO | 37210838 |
| Protein smoothened | IC50 | = | 2.5 | nM | 8.6 | Antagonist activity at human SMO | 37210838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37210838 | 10.1016/j.ejmech.2023.115492 | Protein smoothened | 2 |
Data from ChEMBL 36 via Core Engine