UCSF

ZINC43122584

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 27 Yes

Popular Name: 6-chloro-5-(6-piperazin-1-ylpyrrolo[3,2-b]pyridin-1-yl)sulfonyl-imidazo[2,1-b]thiazole 6-chloro-5-(6-piperazin-1-ylpyrr…

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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) 1.97 5.19 -113.37 3 8 2 90 424.939 3 ↓

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 24 0.40 Binding ≤ 10μM
MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 24 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 24 0.40 Binding ≤ 1μM
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 24 0.40 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% )