UCSF

ZINC00000654

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 19 Yes

Popular Name: Pranoprofen Pranoprofen

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52549-17-4 , 5349-32-6 , [52549-17-4]

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) 3.09 6.57 -50.99 0 4 -1 62 254.265 2 ↓

Vendor Notes

Note Type Comments Provided By
Therapy antiinflammatory SMDC Pharmakon
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH1-2-E Cyclooxygenase-1 (cluster #2 Of 6), Eukaryotic Eukaryotes 390 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PGH1_RAT Q63921 Cyclooxygenase-1, Rat 390 0.47 Binding ≤ 1μM
PGH1_HUMAN P23219 Cyclooxygenase-1, Human 3100 0.41 Binding ≤ 10μM
PGH1_RAT Q63921 Cyclooxygenase-1, Rat 390 0.47 Binding ≤ 10μM

Rings

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