UCSF

ZINC58540748

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 31 Yes

Popular Name: N-[5-(trifluoromethyl)pyrazin-2-yl]-7-[3-(trifluoromethyl)-2-pyridyl]-1,8-naphthyridin-4-amine N-[5-(trifluoromethyl)pyrazin-2-…

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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) 4.41 9.47 -18.93 1 6 0 76 436.319 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 6 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 5.5 0.37 Functional ≤ 10μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 6.3 0.37 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
TRP channels

Rings

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

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