SONIDEGIB PHOSPHATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2015)
Entry Type: Small molecule
Molecule Category: Salt
UNII: W421AI34UW
Parent Compound: SONIDEGIB

Structure
InChI Key RWIVSVMMGFFZIJ-VWDRLOGHSA-N
Smile 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
InChI
InChI=1S/C26H26F3N3O3.2H3O4P/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;2*1-5(2,3)4/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);2*(H3,1,2,3,4)/t16-,17+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32F3N3O11P2
Molecular Weight 681.49
AlogP 5.82
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 63.69
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Smoothened homolog inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Basal Cell 4 D002280 FDA

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.01
Gastrointestinal disorders
13.02
Infections and infestations
7.72
Nervous system disorders
7.6
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
7.37
Musculoskeletal and connective tissue disorders
6.11
Blood and lymphatic system disorders
5.99
Investigations
5.07
Cardiac disorders
3.69
Renal and urinary disorders
3.69
Vascular disorders
3.46
Metabolism and nutrition disorders
3.34
Injury, poisoning and procedural complications
3.23
Skin and subcutaneous tissue disorders
3.23
Respiratory, thoracic and mediastinal disorders
2.53
Reproductive system and breast disorders
2.07

Cross References

Resources Reference
ChEBI 90864
ChEMBL CHEMBL3137317
EPA CompTox DTXSID90669468
FDA SRS W421AI34UW
PubChem 45138699
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