| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 25 | Yes |
Popular Name: benzo[b]thiophene-3-carboxamide, 2-[[4-(1,1-dimethylethyl)benzoyl]amino]-4,5,6,7-tetrahydro- benzo[b]thiophene-3-carboxamide,…
| 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) | 4.24 | -2.33 | -10.86 | 3 | 4 | 0 | 72 | 356.491 | 4 | ↓ |
| 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 | 630 | 0.35 | Binding ≤ 10μM |
| Z100405-1-O | MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other | Other | 1600 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 630 | 0.35 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 630 | 0.35 | Binding ≤ 10μM |
| Z100405 | Z100405 | MV4-11 (Myeloid Leukemia Cells) | 1600 | 0.32 | Functional ≤ 10μM |
