UCSF

ZINC03975392

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 25 Yes

Popular Name: 1-((2-Chlorophenyl)diphenylmethyl)-1H-pyrazole 1-((2-Chlorophenyl)diphenylmethy…

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CAS Numbers: 289905-88-0 , [289905-88-0]

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) 5.86 12.65 -6.23 0 2 0 18 344.845 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Target Potassium Channel Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNA3-1-E Voltage-gated Potassium Channel Subunit Kv1.3 (cluster #1 Of 3), Eukaryotic Eukaryotes 5000 0.30 Binding ≤ 10μM
KCNN4-1-E Intermediate Conductance Calcium-activated Potassium Channel Protein 4 (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNN4_HUMAN O15554 Intermediate Conductance Calcium-activated Potassium Channel Protein 4, Human 20 0.43 Binding ≤ 1μM
KCNN4_HUMAN O15554 Intermediate Conductance Calcium-activated Potassium Channel Protein 4, Human 20 0.43 Binding ≤ 10μM
KCNA3_HUMAN P22001 Voltage-gated Potassium Channel Subunit Kv1.3, Human 5000 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Ca2+ activated K+ channels
Voltage gated Potassium channels

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

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