| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 2nd, 2008 | 27 | No |
Popular Name: Miltefosine Miltefosine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 58066-85-6 , [58066-85-6]
| 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) | 2.84 | 16.88 | -47.16 | 0 | 5 | 0 | 59 | 407.576 | 20 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | antineoplastic | MicroSource World Drugs |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101870-1-O | Leishmania Guyanensis (cluster #1 Of 2), Other | Other | 9500 | 0.26 | Functional ≤ 10μM |
| Z50417-1-O | Leishmania Infantum (cluster #1 Of 4), Other | Other | 6700 | 0.27 | Functional ≤ 10μM |
| Z50457-3-O | Leishmania Amazonensis (cluster #3 Of 3), Other | Other | 3120 | 0.29 | Functional ≤ 10μM |
| Z50458-2-O | Leishmania Braziliensis (cluster #2 Of 4), Other | Other | 9000 | 0.26 | Functional ≤ 10μM |
| Z50459-4-O | Leishmania Donovani (cluster #4 Of 8), Other | Other | 8720 | 0.26 | Functional ≤ 10μM |
| Z80166-9-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #9 Of 12), Other | Other | 6150 | 0.27 | Functional ≤ 10μM |
| Z80255-1-O | MES-SA/DxS (Uterine Sarcoma Cells) (cluster #1 Of 2), Other | Other | 5350 | 0.27 | Functional ≤ 10μM |
| Z81024-4-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #4 Of 8), Other | Other | 6620 | 0.27 | Functional ≤ 10μM |
| Z81072-3-O | Jurkat (Acute Leukemic T-cells) (cluster #3 Of 10), Other | Other | 10000 | 0.26 | Functional ≤ 10μM |
| Z81245-2-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #2 Of 6), Other | Other | 5000 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 6150 | 0.27 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 10000 | 0.26 | Functional ≤ 10μM |
| Z50457 | Z50457 | Leishmania Amazonensis | 3120 | 0.29 | Functional ≤ 10μM |
| Z50458 | Z50458 | Leishmania Braziliensis | 10000 | 0.26 | Functional ≤ 10μM |
| Z50459 | Z50459 | Leishmania Donovani | 0.27 | 0.50 | Functional ≤ 10μM |
| Z101870 | Z101870 | Leishmania Guyanensis | 10000 | 0.26 | Functional ≤ 10μM |
| Z50417 | Z50417 | Leishmania Infantum | 2560 | 0.29 | Functional ≤ 10μM |
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 5000 | 0.27 | Functional ≤ 10μM |
| Z80255 | Z80255 | MES-SA/DxS (Uterine Sarcoma Cells) | 5350 | 0.27 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 6620 | 0.27 | Functional ≤ 10μM |
