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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]-2-furyl]quinoline-3-c 4-[(2,4-dichloro-5-methoxy-pheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 8 0.31 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.27 Functional ≤ 10μM
Z80416-1-O Rat1 (Fibroblast Cells) (cluster #1 Of 1), Other Other 120 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 7.5 0.32 Binding ≤ 1μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 7.5 0.32 Binding ≤ 10μM
Z80416 Z80416 Rat1 (Fibroblast Cells) 120 0.27 Functional ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 120 0.27 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) 6.02 11.62 -44.41 2 7 1 79 523.444 6 ↓
Mid Mid (pH 6-8) 6.02 11.74 -44.6 2 7 1 79 523.444 6 ↓
Mid Mid (pH 6-8) 6.02 9.27 -10.2 1 7 0 78 522.436 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-6-methoxy-7-[5-[(4-methylpiperazin-1-yl)methyl]-2-furyl]qui 4-[(2,4-dichloro-5-methoxy-pheny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 13 0.29 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 1), Eukaryotic Eukaryotes 550 0.23 Functional ≤ 10μM
Z80416-1-O Rat1 (Fibroblast Cells) (cluster #1 Of 1), Other Other 550 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 13 0.29 Binding ≤ 1μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 13 0.29 Binding ≤ 10μM
Z80416 Z80416 Rat1 (Fibroblast Cells) 550 0.23 Functional ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 550 0.23 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) 6.00 11.02 -43.29 2 8 1 88 553.47 7 ↓
Mid Mid (pH 6-8) 6.00 11.15 -44.33 2 8 1 88 553.47 7 ↓
Mid Mid (pH 6-8) 6.00 8.68 -10.12 1 8 0 87 552.462 7 ↓

Parameters Provided:

ring.id = 138583
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 = 138583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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