| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2010 | 23 | No |
Popular Name: W146 (trifluoroacetate salt) W146 (trifluoroacetate salt)
Find On: PubMed — Wikipedia — Google
CAS Numbers: 909725-61-7 , 909725-62-8
| 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) | 1.84 | 4.13 | -48.14 | 5 | 6 | 0 | 117 | 342.376 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.84 | 5.24 | -103.59 | 4 | 6 | -1 | 120 | 341.368 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S1PR1-1-E | Sphingosine 1-phosphate Receptor Edg-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 77 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S1PR1_HUMAN | P21453 | Sphingosine 1-phosphate Receptor Edg-1, Human | 18 | 0.47 | Binding ≤ 1μM |
| S1PR1_HUMAN | P21453 | Sphingosine 1-phosphate Receptor Edg-1, Human | 18 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Lysosphingolipid and LPA receptors |
