UCSF

ZINC00000391

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 21 Yes

Popular Name: Indoprofen Indoprofen

Find On: PubMed — Wikipedia — Google

CAS Numbers: 31842-01-0 , [31842-01-0]

Download: MOL2 SDF SMILES Flexibase

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) 2.88 9.61 -58.72 0 4 -1 60 280.303 3 ↓

Vendor Notes

Note Type Comments Provided By
Therapy analgesic, antiinflammatory SMDC Pharmakon
PUBCHEM_PATENT_ID WO1997014669A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABPL-2-E Fatty Acid-binding Protein, Liver (cluster #2 Of 4), Eukaryotic Eukaryotes 1270 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FABPL_RAT P02692 Fatty Acid-binding Protein, Liver, Rat 1270 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
PPARA activates gene expression
Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp

Rings

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