UCSF

ZINC26687761

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 22 Yes

Popular Name: 6-(3-bromo-4-methoxy-phenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile 6-(3-bromo-4-methoxy-phenyl)-2-o…

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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) 4.03 5.18 -40.13 0 4 -1 69 372.12 3 ↓
Mid Mid (pH 6-8) 3.58 6.07 -18.28 1 4 0 66 373.128 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PIM1-1-E Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1140 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PIM1_HUMAN P11309 Serine/threonine-protein Kinase PIM1, Human 1140 0.38 Binding ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.