| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 22 | No |
Popular Name: (2Z,5Z)-3-allyl-5-[(3-chloro-4-hydroxy-phenyl)methylene]-2-isopropylimino-thiazolidin-4-one (2Z,5Z)-3-allyl-5-[(3-chloro-4-h…
None
| 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) | 4.72 | 6.46 | -7.1 | 1 | 4 | 0 | 55 | 336.844 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.72 | 7.23 | -37.64 | 0 | 4 | -1 | 57 | 335.836 | 4 | ↓ |
| 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 | 55 | 0.46 | Binding ≤ 10μM |
| S1PR3-2-E | Sphingosine 1-phosphate Receptor Edg-3 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 821 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S1PR1_HUMAN | P21453 | Sphingosine 1-phosphate Receptor Edg-1, Human | 55 | 0.46 | Binding ≤ 1μM |
| S1PR3_HUMAN | Q99500 | Sphingosine 1-phosphate Receptor Edg-3, Human | 821 | 0.39 | Binding ≤ 1μM |
| S1PR1_HUMAN | P21453 | Sphingosine 1-phosphate Receptor Edg-1, Human | 55 | 0.46 | Binding ≤ 10μM |
| S1PR3_HUMAN | Q99500 | Sphingosine 1-phosphate Receptor Edg-3, Human | 821 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Lysosphingolipid and LPA receptors |
