UCSF

ZINC00941058

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 27 No

Popular Name: benzo[b]thiophene-3-carboxamide, 2-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]amino]-4,5,6,7-tetrahydro- benzo[b]thiophene-3-carboxamide,…

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Other Names:

MFCD01071544

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) 2.82 -2.92 -15.55 3 6 0 90 386.473 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 130 0.36 Binding ≤ 10μM
Z100405-1-O MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other Other 2000 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 130 0.36 Binding ≤ 1μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 130 0.36 Binding ≤ 10μM
Z100405 Z100405 MV4-11 (Myeloid Leukemia Cells) 2000 0.30 Functional ≤ 10μM

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