| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 23 | Yes |
Popular Name: 55368-40-6; Benzenecarboximidamide, 4,4'-(2,5-furandiyl)bis-, dihydrochloride; nsc305831 55368-40-6; Benzenecarboximidami…
| 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) | 1.57 | 5.7 | -76.45 | 8 | 5 | 2 | 116 | 306.369 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TOP2A-1-E | DNA Topoisomerase II Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.38 | Binding ≤ 10μM |
| TOP2B-1-E | DNA Topoisomerase II Beta (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.38 | Binding ≤ 10μM |
| Z50420-4-O | Trypanosoma Brucei Brucei (cluster #4 Of 7), Other | Other | 7 | 0.50 | Functional ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 16 | 0.47 | Functional ≤ 10μM |
| Z50426-6-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #6 Of 9), Other | Other | 16 | 0.47 | Functional ≤ 10μM |
| Z50459-1-O | Leishmania Donovani (cluster #1 Of 8), Other | Other | 6400 | 0.32 | Functional ≤ 10μM |
| Z50466-7-O | Trypanosoma Cruzi (cluster #7 Of 8), Other | Other | 6400 | 0.32 | Functional ≤ 10μM |
| Z50468-4-O | Giardia Intestinalis (cluster #4 Of 4), Other | Other | 440 | 0.39 | Functional ≤ 10μM |
| Z50594-6-O | Mus Musculus (cluster #6 Of 9), Other | Other | 5 | 0.51 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 4500 | 0.33 | Functional ≤ 10μM |
| Z80035-5-O | B16 (Melanoma Cells) (cluster #5 Of 7), Other | Other | 9200 | 0.31 | Functional ≤ 10μM |
| Z81135-4-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #4 Of 4), Other | Other | 6400 | 0.32 | Functional ≤ 10μM |
| Z81135-1-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #1 Of 6), Other | Other | 6700 | 0.31 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TOP2A_HUMAN | P11388 | DNA Topoisomerase II Alpha, Human | 500 | 0.38 | Binding ≤ 1μM |
| TOP2B_HUMAN | Q02880 | DNA Topoisomerase II Beta, Human | 500 | 0.38 | Binding ≤ 1μM |
| TOP2A_HUMAN | P11388 | DNA Topoisomerase II Alpha, Human | 500 | 0.38 | Binding ≤ 10μM |
| TOP2B_HUMAN | Q02880 | DNA Topoisomerase II Beta, Human | 500 | 0.38 | Binding ≤ 10μM |
| Z80035 | Z80035 | B16 (Melanoma Cells) | 9200 | 0.31 | Functional ≤ 10μM |
| Z50468 | Z50468 | Giardia Intestinalis | 440 | 0.39 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 6400 | 0.32 | Functional ≤ 10μM |
| Z50459 | Z50459 | Leishmania Donovani | 2.8 | 0.52 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 4.5 | 0.51 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 15.5 | 0.48 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 13.8 | 0.48 | Functional ≤ 10μM |
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 7 | 0.50 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 3.2 | 0.52 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 2.7 | 0.52 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 6.4 | 0.50 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| G0 and Early G1 |
