UCSF

ZINC64539801

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 35 No

Popular Name: (3Z)-3-[[4-[2-[4-(dimethylamino)-1-piperidyl]ethoxy]-3-methyl-azulen-1-yl]methylene]-5-fluoro-indoli (3Z)-3-[[4-[2-[4-(dimethylamino)…

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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) 4.29 12.71 -47.04 2 5 1 50 474.6 6 ↓
Lo Low (pH 4.5-6) 4.29 15.04 -118.75 3 5 2 51 475.608 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 18 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 18 0.31 Binding ≤ 1μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 18 0.31 Binding ≤ 10μM

Rings

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

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