UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3Z)-3-[[4-[3-(dimethylamino)propoxy]-3-methyl-azulen-1-yl]methylene]-1H-pyrrolo[2,3-b]pyridin-2-one (3Z)-3-[[4-[3-(dimethylamino)pro…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 1460 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 1460 0.28 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) 4.08 11.95 -56.47 2 5 1 59 388.491 6 ↓

Analogs

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Popular Name: (3Z)-5-fluoro-3-[[3-methyl-4-(3-morpholinopropoxy)azulen-1-yl]methylene]-1H-pyrrolo[2,3-b]pyridin-2- (3Z)-5-fluoro-3-[[3-methyl-4-(3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 90 0.30 Binding ≤ 1μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 90 0.30 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) 3.26 9.21 -18.59 1 6 0 67 447.51 6 ↓
Mid Mid (pH 6-8) 3.26 11.48 -56.96 2 6 1 69 448.518 6 ↓

Analogs

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Popular Name: (3Z)-5-bromo-3-[[3-methyl-4-(3-morpholinopropoxy)azulen-1-yl]methylene]-1H-pyrrolo[2,3-b]pyridin-2-o (3Z)-5-bromo-3-[[3-methyl-4-(3-m…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 86 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 86 0.30 Binding ≤ 1μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 86 0.30 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) 4.88 9.74 -18.23 1 6 0 67 508.416 6 ↓
Mid Mid (pH 6-8) 4.88 12 -56.54 2 6 1 69 509.424 6 ↓

Analogs

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Popular Name: (3E)-1-methyl-3-(1-methyl-2-oxo-pyrrolo[2,3-b]pyridin-3-ylidene)pyrrolo[2,3-b]pyridin-2-one (3E)-1-methyl-3-(1-methyl-2-oxo-…

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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) 1.24 7.22 -9.61 0 6 0 70 292.298 0 ↓

Analogs

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Popular Name: (3Z)-3-(3-oxoindolin-2-ylidene)-1H-pyrrolo[2,3-b]pyridin-2-one (3Z)-3-(3-oxoindolin-2-ylidene)-…

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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) 2.00 4.87 -9.13 2 5 0 79 263.256 0 ↓

Analogs

21290197
21290197

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Popular Name: 5-[(Z)-[4-(3-chloro-4-fluoro-anilino)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]-4-methyl-N-(2 5-[(Z)-[4-(3-chloro-4-fluoro-ani…

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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) 3.76 5.86 -15.46 4 9 0 115 524.984 7 ↓
Mid Mid (pH 6-8) 3.76 8.14 -47.41 5 9 1 116 525.992 7 ↓

Parameters Provided:

ring.id = 261852
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 = 261852 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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