| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 29 | Yes |
Popular Name: 1-(4-(5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid 1-(4-(5-(4-Isobutylphenyl)-1,2,4…
Find On: PubMed — Wikipedia — Google
CAS Number: 635701-59-6
| 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) | 4.31 | 0.68 | -54.96 | 1 | 6 | 0 | 83 | 391.471 | 7 | ↓ |
| 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 | 1 | 0.43 | Binding ≤ 10μM |
| S1PR3-1-E | Sphingosine 1-phosphate Receptor Edg-3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 12 | 0.38 | Binding ≤ 10μM |
| S1PR4-1-E | Sphingosine 1-phosphate Receptor Edg-6 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 70 | 0.35 | Binding ≤ 10μM |
| S1PR5-1-E | Sphingosine 1-phosphate Receptor Edg-8 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S1PR1_HUMAN | P21453 | Sphingosine 1-phosphate Receptor Edg-1, Human | 0.6 | 0.45 | Binding ≤ 1μM |
| S1PR3_HUMAN | Q99500 | Sphingosine 1-phosphate Receptor Edg-3, Human | 12 | 0.38 | Binding ≤ 1μM |
| S1PR4_HUMAN | O95977 | Sphingosine 1-phosphate Receptor Edg-6, Human | 70 | 0.35 | Binding ≤ 1μM |
| S1PR5_HUMAN | Q9H228 | Sphingosine 1-phosphate Receptor Edg-8, Human | 1 | 0.43 | Binding ≤ 1μM |
| S1PR1_HUMAN | P21453 | Sphingosine 1-phosphate Receptor Edg-1, Human | 0.6 | 0.45 | Binding ≤ 10μM |
| S1PR3_HUMAN | Q99500 | Sphingosine 1-phosphate Receptor Edg-3, Human | 12 | 0.38 | Binding ≤ 10μM |
| S1PR4_HUMAN | O95977 | Sphingosine 1-phosphate Receptor Edg-6, Human | 70 | 0.35 | Binding ≤ 10μM |
| S1PR5_HUMAN | Q9H228 | Sphingosine 1-phosphate Receptor Edg-8, Human | 1 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Lysosphingolipid and LPA receptors |
No pre-computed analogs available. Try a structural similarity search.