UCSF

ZINC56851046

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 28 Yes

Popular Name: (1S,2S)-2-[6-[(1S)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-3-quinolyl]cyclopropanecarboxamide (1S,2S)-2-[6-[(1S)-1-(2,6-dichlo…

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Download: MOL2 SDF SMILES Flexibase

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) 4.60 8.53 -12.13 2 4 0 65 419.283 5 ↓
Lo Low (pH 4.5-6) 4.60 8.97 -41.73 3 4 1 66 420.291 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EPHA2-1-E Ephrin Type-A Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5200 0.26 Binding ≤ 10μM
LTK-1-E Leukocyte Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.25 Binding ≤ 10μM
MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.40 Binding ≤ 10μM
RON-1-E Macrophage-stimulating Protein Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 230 0.33 Binding ≤ 10μM
UFO-1-E Tyrosine-protein Kinase Receptor UFO (cluster #1 Of 1), Eukaryotic Eukaryotes 430 0.32 Binding ≤ 10μM
Z81057-1-O HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other Other 9900 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 9.3 0.40 Binding ≤ 1μM
RON_HUMAN Q04912 Macrophage-stimulating Protein Receptor, Human 230 0.33 Binding ≤ 1μM
UFO_HUMAN P30530 Tyrosine-protein Kinase Receptor UFO, Human 430 0.32 Binding ≤ 1μM
EPHA2_HUMAN P29317 Ephrin Type-A Receptor 2, Human 5200 0.26 Binding ≤ 10μM
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 9.3 0.40 Binding ≤ 10μM
LTK_HUMAN P29376 Leukocyte Tyrosine Kinase Receptor, Human 10000 0.25 Binding ≤ 10μM
RON_HUMAN Q04912 Macrophage-stimulating Protein Receptor, Human 230 0.33 Binding ≤ 10μM
UFO_HUMAN P30530 Tyrosine-protein Kinase Receptor UFO, Human 430 0.32 Binding ≤ 10μM
Z81057 Z81057 HUVEC (Umbilical Vein Endothelial Cells) 300 0.33 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
Sema4D mediated inhibition of cell attachment and migration
VEGFA-VEGFR2 Pathway

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.