UCSF

ZINC07918428

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2006 24 Yes

Popular Name: 1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-; 3,5-Dimethyl-1-phenyl-N-(phenylmethyl)-1H-pyrazole-4-acetamide; BRN 4201049; LS-127925 1H-Pyrazole-4-acetamide, 3,5-dim…

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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) 2.72 0.39 -15.28 1 4 0 46 319.408 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 1000 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2RX7_HUMAN Q99572 P2X Purinoceptor 7, Human 1000 0.35 Binding ≤ 1μM
P2RX7_HUMAN Q99572 P2X Purinoceptor 7, Human 1000 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
The NLRP3 inflammasome

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