UCSF
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Analogs

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Popular Name: 3-(trifluoromethyl)-2-[5-[[5-(trifluoromethyl)-2-pyridyl]amino]-1,8-naphthyridin-2-yl]pyridine-4-car 3-(trifluoromethyl)-2-[5-[[5-(tr…

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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 13 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 13 0.32 Functional ≤ 10μM

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) 3.61 7.37 -27.83 3 7 0 107 478.356 6 ↓

Analogs

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

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MK03-1-E MAP Kinase ERK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 980 0.27 Binding ≤ 10μM
TRPV1-2-E Vanilloid Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 3 0.38 Binding ≤ 10μM
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 2 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MK03_HUMAN P27361 MAP Kinase ERK1, Human 980 0.27 Binding ≤ 1μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 3.25 0.38 Binding ≤ 1μM
MK03_HUMAN P27361 MAP Kinase ERK1, Human 980 0.27 Binding ≤ 10μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 3.25 0.38 Binding ≤ 10μM
TRPV1_HUMAN Q8NER1 Vanilloid Receptor, Human 2.2 0.39 Functional ≤ 10μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 3.2 0.38 Functional ≤ 10μM

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) 4.86 11.14 -17.75 1 5 0 64 435.331 5 ↓
Lo Low (pH 4.5-6) 4.86 11.6 -34.03 2 5 1 65 436.339 5 ↓

Parameters Provided:

ring.id = 189128
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 189128 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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