| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2008 | 21 | Yes |
Popular Name: Tenidap Tenidap
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100599-27-7; 120210-48-2 , 119784-94-0 , 120210-48-2
(Z)-5-Chloro-3-(alpha-hydroxy-2-thenylidene)-2-oxo-1-indolinecarboxamide; Tenidap
| 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) | 3.34 | 3.92 | -48.48 | 2 | 5 | -1 | 88 | 319.749 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 2.49 | -120.78 | 1 | 5 | -2 | 92 | 318.741 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | EP1493439; EP1520590; EP1767223; EP1938803; GB2321455; US2001006962; US2002016322; US2003153544; US2004063677; US2005009870; US2005014786; US2005020590; US2005049288; US2005080087; US2006135511; US2006148790; US2007196350; US2007237820; US2008214511; US20 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LOX5-1-E | Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic | Eukaryotes | 9000 | 0.34 | Binding ≤ 10μM |
| PGH1-6-E | Cyclooxygenase-1 (cluster #6 Of 6), Eukaryotic | Eukaryotes | 10 | 0.53 | Binding ≤ 10μM |
| PGH2-1-E | Cyclooxygenase-2 (cluster #1 Of 8), Eukaryotic | Eukaryotes | 10 | 0.53 | Binding ≤ 10μM |
| PGH1-1-E | Cyclooxygenase-1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 53 | 0.49 | Functional ≤ 10μM |
| PGH2-1-E | Cyclooxygenase-2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 53 | 0.49 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 53 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGH1_RAT | Q63921 | Cyclooxygenase-1, Rat | 10 | 0.53 | Binding ≤ 1μM |
| PGH2_RAT | P35355 | Cyclooxygenase-2, Rat | 10 | 0.53 | Binding ≤ 1μM |
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 9000 | 0.34 | Binding ≤ 10μM |
| PGH1_RAT | Q63921 | Cyclooxygenase-1, Rat | 10 | 0.53 | Binding ≤ 10μM |
| PGH1_RABIT | O97554 | Cyclooxygenase-1, Rabit | 2560 | 0.37 | Binding ≤ 10μM |
| PGH2_RAT | P35355 | Cyclooxygenase-2, Rat | 10 | 0.53 | Binding ≤ 10μM |
| PGH2_RABIT | O02768 | Prostaglandin G/H Synthase 2, Rabit | 8400 | 0.34 | Binding ≤ 10μM |
| PGH1_RAT | Q63921 | Cyclooxygenase-1, Rat | 53 | 0.49 | Functional ≤ 10μM |
| PGH2_RAT | P35355 | Cyclooxygenase-2, Rat | 53 | 0.49 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 53 | 0.49 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nicotinamide salvaging | |
| Synthesis of 15-eicosatetraenoic acid derivatives | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
