UCSF

ZINC03938677

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 35 No

Popular Name: Mometasone furoate Mometasone furoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 141646-00-6 , 83919-23-7 , 83919-23-7 

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 12.02 -15.24 1 6 0 94 521.437 5 ↓

Vendor Notes

Note Type Comments Provided By
Indications anti-inflammatory, hay fever, antiasthma, inflammatory skin disorders KeyOrganics Bioactives
biological_use Antiallergic agent IBScreen Bioactives
biological_use Antiinflammatory IBScreen Bioactives
Therapy antiinflammatory, glucocorticoid SMDC Pharmakon
Indications antiinflammatory, hay fever, antiasthma, inflammatory skin disorders KeyOrganics Bioactives
biological_use Antiinflammatory ZereneX Building Blocks
PUBCHEM_PATENT_ID EP0262681A1; EP0262681B1; EP0292893A1; EP0292893B2; EP0318522A1; EP0362270A1; EP0362270B2; EP0408069A3; EP0457333A3; EP0496520A1; EP0518600A1; EP0518601A1; EP0548114A1; EP0548114B1; EP0587790A1; EP0587790B2; EP0588897A1; EP0588897B1; EP0653205A1; EP065620 IBM Patent Data
Target Glucocorticoid Receptor Selleck Chemicals
mechanism Glucocorticoid steroid ZereneX Building Blocks
Target Others Selleck Chemicals
PUBCHEM_PATENT_ID US5036048 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRGR-1-E Progesterone Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRGR_HUMAN P06401 Progesterone Receptor, Human 0.1 0.40 Binding ≤ 1μM
PRGR_HUMAN P06401 Progesterone Receptor, Human 0.1 0.40 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nuclear Receptor transcription pathway
Nuclear signaling by ERBB4

Analogs ( Draw Identity 99% 90% 80% 70% )