sofalcone 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
2456 64506-49-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • sofalcone
  • Molecular weight: 450.53
  • Formula: C27H30O6
  • CLOGP: 5.94
  • LIPINSKI: 1
  • HAC: 6
  • HDO: 1
  • TPSA: 82.06
  • ALOGS: -5.83
  • ROTB: 12

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KIT,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK14,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ZAP70 60
kinase-selectivity-class ACVR2B,AXL,BRAF,CAMK2D,CDK9,ERBB2,GRK2,MAP2K6,MAPK7,PDK4,SIK2,STK33,TEK 13
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000897 Anti-Ulcer Agents
MeSH PA D005765 Gastrointestinal Agents
CHEBI has role CHEBI:33282 antibacterial agent
CHEBI has role CHEBI:49201 anti-ulcer drug
CHEBI has role CHEBI:55324 gastrointestinal drug
CHEBI has role CHEBI:76924 plant metabolite

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Gastric ulcer indication 397825006 DOID:10808




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 2.92 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D01956 KEGG_DRUG
153175-87-2 SECONDARY_CAS_RN
C0142971 UMLSCUI
CHEBI:135732 CHEBI
CHEMBL1441961 ChEMBL_ID
DB05197 DRUGBANK_ID
C035032 MESH_SUPPLEMENTAL_RECORD_UI
5321 INN_ID
2B668TJX8E UNII
5282219 PUBCHEM_CID
010965 NDDF

Pharmaceutical products:

None