| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 29 | Yes |
Popular Name: Ramatroban Ramatroban
Find On: PubMed — Wikipedia — Google
CAS Numbers: 116649-85-5 , 116649-85-5; 141281-95-0 , 116649-85-5 , 141281-95-0 , [116649-85-5]
(R)-3-(3-(4-fluorophenylsulfonamido)-3,4-dihydro-1H-carbazol-9(2H)-yl)propanoic 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) | 3.25 | 9.36 | -49.74 | 1 | 6 | -1 | 91 | 415.466 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | antiallergic | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GPR44-1-E | G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.40 | Binding ≤ 10μM |
| GPR44-1-E | G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 77 | 0.34 | Binding ≤ 10μM |
| PD2R-1-E | Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6140 | 0.25 | Binding ≤ 10μM |
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.40 | Binding ≤ 10μM |
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 53 | 0.35 | Binding ≤ 10μM |
| GPR44-1-E | G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 461 | 0.31 | Functional ≤ 10μM |
| TA2R-1-E | Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10 | 0.39 | Functional ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 50 | 0.35 | Functional ≤ 10μM |
| Z81011-1-O | Human Cell Lines (cluster #1 Of 3), Other | Other | 10 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GPR44_HUMAN | Q9Y5Y4 | G Protein-coupled Receptor 44, Human | 5.5 | 0.40 | Binding ≤ 1μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 53 | 0.35 | Binding ≤ 1μM |
| GPR44_HUMAN | Q9Y5Y4 | G Protein-coupled Receptor 44, Human | 5.5 | 0.40 | Binding ≤ 10μM |
| PD2R_HUMAN | Q13258 | Prostanoid DP Receptor, Human | 6140 | 0.25 | Binding ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 53 | 0.35 | Binding ≤ 10μM |
| GPR44_HUMAN | Q9Y5Y4 | G Protein-coupled Receptor 44, Human | 169 | 0.33 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 380 | 0.31 | Functional ≤ 10μM |
| Z81011 | Z81011 | Human Cell Lines | 28 | 0.36 | Functional ≤ 10μM |
| TA2R_HUMAN | P21731 | Thromboxane A2 Receptor, Human | 18 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Prostanoid ligand receptors | |
| Thromboxane signalling through TP receptor |
