UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-pyridinyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(4-pyridinyl)-5H-indeno[1,2-c]…

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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) 2.39 0.42 -10.21 0 4 0 55 259.268 1 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(4-bromophenyl)-5H-indeno[1,2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFA-2-E Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic Eukaryotes 1000 0.40 Binding ≤ 10μM
AOFB-2-E Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic Eukaryotes 1330 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFA_RAT P21396 Monoamine Oxidase A, Rat 1000 0.40 Binding ≤ 1μM
AOFA_RAT P21396 Monoamine Oxidase A, Rat 1000 0.40 Binding ≤ 10μM
AOFB_RAT P19643 Monoamine Oxidase B, Rat 1330 0.39 Binding ≤ 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) 4.49 0.45 -8.78 0 3 0 42 337.176 1 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(2-fluorophenyl)-5H-indeno[1,2…

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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) 3.80 1.92 -13.03 0 3 0 42 276.27 1 ↓

Analogs

13743557
13743557

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Popular Name: 3-(3-chlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(3-chlorophenyl)-5H-indeno[1,2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-2-E Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic Eukaryotes 900 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_RAT P19643 Monoamine Oxidase B, Rat 900 0.40 Binding ≤ 1μM
AOFB_RAT P19643 Monoamine Oxidase B, Rat 900 0.40 Binding ≤ 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) 4.33 1.06 -10.23 0 3 0 42 292.725 1 ↓

Analogs

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Popular Name: 3-(3,4-dichlorophenyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(3,4-dichlorophenyl)-5H-indeno…

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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) 4.96 0.93 -8.14 0 3 0 42 327.17 1 ↓

Analogs

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Popular Name: 3-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-c]pyridazin-5-one 3-[3-(trifluoromethyl)phenyl]-5H…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-2-E Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic Eukaryotes 280 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_RAT P19643 Monoamine Oxidase B, Rat 280 0.38 Binding ≤ 1μM
AOFB_RAT P19643 Monoamine Oxidase B, Rat 280 0.38 Binding ≤ 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) 4.55 3.38 -11.25 0 3 0 42 326.277 2 ↓

Analogs

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Popular Name: 3-(3-methylphenyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(3-methylphenyl)-5H-indeno[1,2…

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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) 4.11 9.02 -9.75 0 3 0 43 272.307 1 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(4-fluorophenyl)-5H-indeno[1,2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFB-2-E Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic Eukaryotes 920 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFB_RAT P19643 Monoamine Oxidase B, Rat 920 0.40 Binding ≤ 1μM
AOFB_RAT P19643 Monoamine Oxidase B, Rat 920 0.40 Binding ≤ 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) 3.85 8.42 -9.2 0 3 0 43 276.27 1 ↓

Analogs

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Popular Name: 3-(4-phenoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(4-phenoxyphenyl)-5H-indeno[1,…

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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) 5.43 1.86 -10.41 0 4 0 52 350.377 3 ↓

Analogs

4060064
4060064
13743561
13743561
196662
196662

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Popular Name: DNC011366 DNC011366

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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) 3.68 8.35 -9.73 0 3 0 43 258.28 1 ↓

Analogs

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Popular Name: 3-(3-hydroxyphenyl)indeno[1,2-c]pyridazin-5-one 3-(3-hydroxyphenyl)indeno[1,2-c]…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFA-2-E Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic Eukaryotes 1000 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFA_RAT P21396 Monoamine Oxidase A, Rat 1000 0.40 Binding ≤ 1μM
AOFA_RAT P21396 Monoamine Oxidase A, Rat 1000 0.40 Binding ≤ 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) 3.18 -0.76 -11.72 1 4 0 63 274.279 1 ↓

Analogs

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Popular Name: 3-(3,4-dimethoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one 3-(3,4-dimethoxyphenyl)-5H-inden…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFA-2-E Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic Eukaryotes 1000 0.35 Binding ≤ 10μM
AOFB-2-E Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic Eukaryotes 1000 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFA_RAT P21396 Monoamine Oxidase A, Rat 1000 0.35 Binding ≤ 1μM
AOFB_RAT P19643 Monoamine Oxidase B, Rat 1000 0.35 Binding ≤ 1μM
AOFA_RAT P21396 Monoamine Oxidase A, Rat 1000 0.35 Binding ≤ 10μM
AOFB_RAT P19643 Monoamine Oxidase B, Rat 1000 0.35 Binding ≤ 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) 3.33 1.56 -12.61 0 5 0 61 318.332 3 ↓

Parameters Provided:

ring.id = 226990
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 = 226990 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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