| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 18 | No |
Popular Name: Tetradecyl Phosphonate Tetradecyl Phosphonate
Find On: PubMed — Wikipedia — Google
CAS Number: 4671-75-4
| 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) | 5.55 | 8.76 | -38.27 | 1 | 3 | -1 | 60 | 277.365 | 13 | ↓ |
| Hi High (pH 8-9.5) | 5.55 | 9.88 | -123.34 | 0 | 3 | -2 | 63 | 276.357 | 13 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5296439; US5395433; US5432534 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LPAR1-2-E | Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4620 | 0.41 | Binding ≤ 10μM |
| LPAR2-1-E | Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4620 | 0.41 | Binding ≤ 10μM |
| LPAR3-2-E | Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4620 | 0.41 | Binding ≤ 10μM |
| LPAR1-3-E | Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 9674 | 0.39 | Functional ≤ 10μM |
| LPAR2-2-E | Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 9674 | 0.39 | Functional ≤ 10μM |
| LPAR3-2-E | Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 9674 | 0.39 | Functional ≤ 10μM |
| Z80390-7-O | PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other | Other | 9674 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LPAR1_HUMAN | Q92633 | Lysophosphatidic Acid Receptor Edg-2, Human | 4620 | 0.41 | Binding ≤ 10μM |
| LPAR2_HUMAN | Q9HBW0 | Lysophosphatidic Acid Receptor Edg-4, Human | 3550 | 0.42 | Binding ≤ 10μM |
| LPAR3_HUMAN | Q9UBY5 | Lysophosphatidic Acid Receptor Edg-7, Human | 1120 | 0.46 | Binding ≤ 10μM |
| LPAR1_HUMAN | Q92633 | Lysophosphatidic Acid Receptor Edg-2, Human | 10000 | 0.39 | Functional ≤ 10μM |
| LPAR2_HUMAN | Q9HBW0 | Lysophosphatidic Acid Receptor Edg-4, Human | 5500 | 0.41 | Functional ≤ 10μM |
| LPAR3_HUMAN | Q9UBY5 | Lysophosphatidic Acid Receptor Edg-7, Human | 3100 | 0.43 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 9674 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Lysosphingolipid and LPA receptors |
