UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-diethylaminoethyl)-3-[2-[[2-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]imidazol N-(2-diethylaminoethyl)-3-[2-[[2…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 46 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 46 0.25 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) 5.33 16.32 -55.54 4 10 1 110 569.612 13 ↓
Mid Mid (pH 6-8) 5.33 16.94 -82.93 5 10 2 112 570.62 13 ↓

Analogs

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Popular Name: N2-methyl-N4-[4-(trifluoromethoxy)phenyl]-N6-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]pyrimidine- N2-methyl-N4-[4-(trifluoromethox…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 54 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 54 0.28 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) 6.76 16.19 -34.18 4 8 1 90 510.422 9 ↓
Mid Mid (pH 6-8) 6.76 16.85 -90.04 5 8 2 91 511.43 9 ↓

Analogs

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Popular Name: 2-methyl-N4-[4-(trifluoromethoxy)phenyl]-N6-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]pyrimidine-4 2-methyl-N4-[4-(trifluoromethoxy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 114 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 114 0.28 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) 6.25 15.6 -12.42 2 7 0 77 494.399 8 ↓
Mid Mid (pH 6-8) 6.25 16.19 -33.57 3 7 1 78 495.407 8 ↓

Parameters Provided:

ring.id = 38873
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 = 38873 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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