UCSF

ZINC38210762

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 30 Yes

Popular Name: 3-[(1S)-1-(2,6-dichloro-3-fluoro-phenyl)ethoxy]-5-[1-[(3R)-3-piperidyl]pyrazol-4-yl]pyridin-2-amine 3-[(1S)-1-(2,6-dichloro-3-fluoro…

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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) 4.01 9.09 -91.84 5 6 2 84 452.361 5 ↓
Hi High (pH 8-9.5) 4.01 7.26 -8.85 3 6 0 78 450.345 5 ↓
Mid Mid (pH 6-8) 4.01 8.62 -48.33 4 6 1 83 451.353 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 14 0.37 Binding ≤ 1μM
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 14 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Sema4D mediated inhibition of cell attachment and migration

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