| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 3rd, 2006 | 35 | No |
Popular Name: LS-53244 LS-53244
Find On: PubMed — Wikipedia — Google
CAS Numbers: 70641-51-9 , 77286-66-9
1-O-Octadecyl-2-O-methyl-rac-glycero-3-phosphocholine
1-O-Stearyl-2-O-methyl-rac-glycero-3-phosphocholine
1-octadecyl-2-methyl-sn-glycero-3-phosphocholine
| 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) | 3.81 | 18.9 | -48.04 | 0 | 7 | 0 | 77 | 523.736 | 27 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTAFR-2-E | Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1800 | 0.23 | Functional ≤ 10μM |
| Z50417-1-O | Leishmania Infantum (cluster #1 Of 4), Other | Other | 820 | 0.24 | Functional ≤ 10μM |
| Z50607-9-O | Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other | Other | 920 | 0.24 | Functional ≤ 10μM |
| Z80156-3-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other | Other | 260 | 0.26 | Functional ≤ 10μM |
| Z80156-3-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other | Other | 6100 | 0.21 | Functional ≤ 10μM |
| Z80166-2-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other | Other | 2000 | 0.23 | Functional ≤ 10μM |
| Z80186-3-O | K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other | Other | 6100 | 0.21 | Functional ≤ 10μM |
| Z80678-1-O | AMML Cell Line (cluster #1 Of 1), Other | Other | 1350 | 0.23 | Functional ≤ 10μM |
| Z80678-1-O | AMML Cell Line (cluster #1 Of 1), Other | Other | 3300 | 0.22 | Functional ≤ 10μM |
| Z80777-1-O | CML/BC Cell Line (cluster #1 Of 1), Other | Other | 250 | 0.26 | Functional ≤ 10μM |
| Z80777-1-O | CML/BC Cell Line (cluster #1 Of 1), Other | Other | 1500 | 0.23 | Functional ≤ 10μM |
| Z81245-2-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #2 Of 6), Other | Other | 3000 | 0.22 | Functional ≤ 10μM |
| Z81252-2-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #2 Of 11), Other | Other | 5000 | 0.21 | Functional ≤ 10μM |
| Z80548-1-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 4), Other | Other | 4960 | 0.21 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80678 | Z80678 | AMML Cell Line | 3300 | 0.22 | Functional ≤ 10μM |
| Z80777 | Z80777 | CML/BC Cell Line | 1500 | 0.23 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 1000 | 0.24 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 2000 | 0.23 | Functional ≤ 10μM |
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 4000 | 0.22 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 6100 | 0.21 | Functional ≤ 10μM |
| Z50417 | Z50417 | Leishmania Infantum | 3650 | 0.22 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 5000 | 0.21 | Functional ≤ 10μM |
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 3000 | 0.22 | Functional ≤ 10μM |
| PTAFR_HUMAN | P25105 | Platelet Activating Factor Receptor, Human | 1800 | 0.23 | Functional ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 4960 | 0.21 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (q) signalling events | |
| Interferon gamma signaling |
