| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 22 | No |
Popular Name: 3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-acrylic acid 3-[3-(3-Carboxy-acryloylamino)-p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 36847-98-0
(2E,2'E)-4,4'-(benzene-1,3-diyldiimino)bis(4-oxobut-2-enoic acid)
(E)-4-(3-{[(E)-4-hydroxy-4-oxo-2-butenoyl]amino}anilino)-4-oxo-2-butenoic acid
2-butenoic acid, 4,4'-[1,3-phenylenebis(imino)]bis[4-oxo-
3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-ac
4-{3-[(3-carboxyacryloyl)amino]anilino}-4-oxo-2-butenoic acid
| 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) | -0.20 | -1.91 | -98.77 | 2 | 8 | -2 | 138 | 302.242 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LPAR1-4-E | Lysophosphatidic Acid Receptor Edg-2 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 50 | 0.46 | Functional ≤ 10μM |
| LPAR2-4-E | Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 22 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LPAR1_HUMAN | Q92633 | Lysophosphatidic Acid Receptor Edg-2, Human | 220 | 0.42 | Functional ≤ 10μM |
| LPAR2_HUMAN | Q9HBW0 | Lysophosphatidic Acid Receptor Edg-4, Human | 20.8 | 0.49 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Lysosphingolipid and LPA receptors |
