UCSF

ZINC62154034

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 33 Yes

Popular Name: 4-[3-[(7-methoxy-4-quinolyl)oxymethyl]-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]-N-methyl-benzamide 4-[3-[(7-methoxy-4-quinolyl)oxym…

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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) 3.15 8.02 -22.7 1 9 0 104 440.463 6 ↓
Mid Mid (pH 6-8) 3.15 8.43 -48.53 2 9 1 105 441.471 6 ↓

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 6 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 6 0.35 Binding ≤ 1μM
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 6 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Sema4D mediated inhibition of cell attachment and migration

Rings

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

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