| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 23 | No |
Popular Name: 2-(3-phenylprop-2-enoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-(3-phenylprop-2-enoylamino)-4,…
| 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) | 3.17 | -3.29 | -11.76 | 3 | 4 | 0 | 72 | 326.421 | 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 | 250 | 0.40 | Binding ≤ 10μM |
| Z100405-1-O | MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other | Other | 530 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 250 | 0.40 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 250 | 0.40 | Binding ≤ 10μM |
| Z100405 | Z100405 | MV4-11 (Myeloid Leukemia Cells) | 530 | 0.38 | Functional ≤ 10μM |
