| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 25 | Yes |
Popular Name: Prostaglandin E2 Prostaglandin E2
Find On: PubMed — Wikipedia — Google
CAS Numbers: 34210-10-1 , 363-24-6
(5Z,11-alpha,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
(5Z,11.alpha.,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
(5Z,11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dien-1-oic
(5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
(5Z,11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprosta-5,13-dienoic acid
(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate
(5Z,13E)-(15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dienoate
(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
(E,Z)-(1R,2R,3R)-7-(3-Hydroxy-2-((3S)-(3-hydroxy-1-octenyl))-5-oxocyclopentyl)-5-heptenoic acid
(Z)-7-[(1R,2R,3R)-3-Hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
05D31BD5-818B-4A92-8CFC-BEC19926A5B3
363-24-6; Cervidil (TN); D00079; Dinoprostone (JAN/USP/INN); Prepidil (TN); Prostin E2 (TN)
363-24-6; Dinoprostone; Prestwick_793
5-Heptenoic acid, 7-(3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl)-
5-Heptenoic acid, 7-(3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl)- (8CI)
5-Heptenoic acid, 7-(3-hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl)-, l-
7-(3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl)-5-heptenoic acid
9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid; Prostin E2
CHEBI:26323; CHEBI:114125; CHEBI:10910; CHEBI:10911; CHEBI:4625; CHEBI:8512
dinoprostona; dinoprostone; dinoprostonum
Dinoprostone beta-Cyclodextrin Clathrate
Dinoprostone [USAN:INN:BAN:JAN]
l-7-(3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentyl)-5-heptenoic acid
Prosta-5,13-dien-1-oic acid, (5Z,11-alpha,13E,15S)-11,15-dihydroxy-9-oxo-
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-9-oxo-, (5Z,11alpha,13E,15S)-
Prostaglandin E2; Dinoprostone
prostaglandin E2; prostaglandin E2 anion
| 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) | 2.87 | 7.59 | -49.55 | 2 | 5 | -1 | 98 | 351.463 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.40e-02 g/l | DrugBank-approved |
| MP | 66 | TCI |
| Mp [°C] | 66 - 68 | Acros Organics |
| UniProt Database Links | CBR1_BOVIN; CBR1_HUMAN; CBR1_MACFA; CBR1_MOUSE; CBR1_PIG; CBR1_PONAB; CBR1_RABIT; CBR1_RAT; CELF2_HUMAN; CELF2_MOUSE; CELF2_PONAB; CELF2_RAT; CLC2D_HUMAN; CP4F8_HUMAN; CTSR1_HUMAN; CTSR2_HUMAN; CTSR3_HUMAN; CTSR4_HUMAN; CXCL7_HUMAN; FOSL2_HUMAN; FOSL2_MOU | ChEBI |
| UniProt Database Links | CBR1_BOVIN; CBR1_HUMAN; CBR1_MACFA; CBR1_MOUSE; CBR1_PIG; CBR1_PONAB; CBR1_RABIT; CBR1_RAT; CELF2_HUMAN; CELF2_MOUSE; CELF2_PONAB; CELF2_RAT; CLC2D_HUMAN; CXCL7_HUMAN; OSTA_LEUER; OSTB_LEUER; PE2R1_CANFA; PE2R1_HUMAN; PE2R1_MOUSE; PE2R1_RAT; PE2R2_CANFA | ChEBI |
| Patent Database Links | EP1312601; EP1314719; US2003216381; US2004002493; US2005107463; US2005148549 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Reactome Database Links | REACT_150185; REACT_150186; REACT_150333; REACT_150407; REACT_15291; REACT_15459; REACT_15538; REACT_17008; REACT_18298; REACT_18345; REACT_18421; REACT_22234; REACT_22239; REACT_22263; REACT_22268; REACT_22289; REACT_22436; REACT_23779; REACT_23822 | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PE2R1-2-E | Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9 | 0.45 | Binding ≤ 10μM |
| PE2R2-2-E | Prostanoid EP2 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 0.46 | Binding ≤ 10μM |
| PE2R3-2-E | Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.50 | Binding ≤ 10μM |
| PE2R4-2-E | Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.49 | Binding ≤ 10μM |
| S22A6-1-E | Solute Carrier Family 22 Member 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3400 | 0.31 | Binding ≤ 10μM |
| PE2R2-1-E | Prostanoid EP2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| PE2R4-1-E | Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PE2R1_HUMAN | P34995 | Prostanoid EP1 Receptor, Human | 1.1 | 0.50 | Binding ≤ 1μM |
| PE2R2_RAT | Q62928 | Prostanoid EP2 Receptor, Rat | 5.2 | 0.46 | Binding ≤ 1μM |
| PE2R2_HUMAN | P43116 | Prostanoid EP2 Receptor, Human | 37.7 | 0.42 | Binding ≤ 1μM |
| PE2R3_HUMAN | P43115 | Prostanoid EP3 Receptor, Human | 0.33 | 0.53 | Binding ≤ 1μM |
| PE2R4_RAT | P43114 | Prostanoid EP4 Receptor, Rat | 2.1 | 0.49 | Binding ≤ 1μM |
| PE2R4_HUMAN | P35408 | Prostanoid EP4 Receptor, Human | 0.7 | 0.51 | Binding ≤ 1μM |
| PE2R1_HUMAN | P34995 | Prostanoid EP1 Receptor, Human | 1.1 | 0.50 | Binding ≤ 10μM |
| PE2R2_RAT | Q62928 | Prostanoid EP2 Receptor, Rat | 5.2 | 0.46 | Binding ≤ 10μM |
| PE2R2_HUMAN | P43116 | Prostanoid EP2 Receptor, Human | 37.7 | 0.42 | Binding ≤ 10μM |
| PE2R3_HUMAN | P43115 | Prostanoid EP3 Receptor, Human | 0.33 | 0.53 | Binding ≤ 10μM |
| PE2R4_RAT | P43114 | Prostanoid EP4 Receptor, Rat | 2.1 | 0.49 | Binding ≤ 10μM |
| PE2R4_HUMAN | P35408 | Prostanoid EP4 Receptor, Human | 0.7 | 0.51 | Binding ≤ 10μM |
| S22A6_MOUSE | Q8VC69 | Solute Carrier Family 22 Member 6, Mouse | 3388.44156 | 0.31 | Binding ≤ 10μM |
| PE2R2_RAT | Q62928 | Prostanoid EP2 Receptor, Rat | 0.2 | 0.54 | Functional ≤ 10μM |
| PE2R4_HUMAN | P35408 | Prostanoid EP4 Receptor, Human | 3 | 0.48 | Functional ≤ 10μM |
| PE2R4_RAT | P43114 | Prostanoid EP4 Receptor, Rat | 0.7 | 0.51 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Prostanoid ligand receptors | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
|
| Transport of organic anions |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Organic anion transport | |
| Prostanoid ligand receptors |
