UCSF

ZINC03830709

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 25 Yes

Popular Name: Dinoprost Tromethamine Dinoprost Tromethamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 34210-11-2 , 38562-01-5 , 551-11-1 , [551-11-1]

Other Names:

(+)-prostaglandin F2a; (5Z,13E)-(15S)-9,11,15-trihydroxyprosta-5,13-dienoate; (5z,13e)-(15s)-9-alpha,11-alpha,15-trihydroxyprosta-5,13-dienoate; 551-11-1; 5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY; 7-[3, 5-dihydroxy-2-(3-hydroxyl-1-octenyl) cyclopentyl]-5-hepteno

(+)-Prostaglandin F2a; (5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate; (5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoate; 551-11-1; 7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid; 9,11,15-Trihydroxy

(E,Z)-(1R,2R,3R,5S)-7-(3,5-Dihydroxy-2-((3S)-(3-hydroxy-1-octenyl))cyclopentyl)-5-heptenoic acid compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1); 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (5Z,9alpha,11alpha,13E,15S)-9,11,15-trihydroxypros

prost

prost-

38362-01-5; Dinoprost trometamol; Prestwick_792

38562-01-5; D01352; Dinoprost tromethamine (JAN/USP); Prostin F2 alpha (TN)

583E; U-14; U 14583; Ensaprost; Dinolytic; Zinoprost; Prostalmon F; PGF2.alpha. THAM; Dinoprost tromethamine; Prostaglandin F2.alpha. THAM; Panacelan F tromethamine salt; Enzaprost F compd. with trisamine; Dinoprost compd. with 2-amino-2-(hydroxymethyl)-1

9S,11R,15S-trihydroxy-5Z,13E-prostadienoic acid

CHEBI:8516; CHEBI:26327; CHEBI:10913

Dinolytic

DINOPROST

Dinoprost (BAN

Dinoprost Trometamol

Dinoprost, trometamol salt

Dinoprost, trometamol salt;PGF2-alpha THAM;PGF2alpha THAM;Prostaglandin F2-alpha THAM;Prostaglandin F2a tromethamine;Prostaglandin F2alpha tham;Prostin F2 alpha

dinoprost; dinoprosta; dinoprostum

DNC003694

Ensaprost

INN

JAN

Lutalyse

MFCD00077863

MFCD00135231

MFCD00135271

P G F 2 a

Panacelan F tromethamine salt

PGF2-alpha THAM

PGF2alpha

PGF2alpha THAM

PGF2alpha; l-PGF2-alpha; l-Prostaglandin F2-alpha

Pronalgon F

Prostaglandin F 2 Alpha

Prostaglandin F2-alpha THAM

Prostaglandin F2.alpha.

Prostaglandin F2.alpha. (tromethamine salt)

Prostaglandin F2?

Prostaglandin F2a

Prostaglandin F2a tromethamine

Prostaglandin F2alpha

Prostaglandin F2alpha tham

prostaglandin F2alpha(1-)

Prostaglandin f2alpha-d4

Prostaglandin F2alpha; Prostaglandin F2a; Enzaprost; Dinoprost; Amoglandin; Cyclosin

prostaglandin F2alpha; prostaglandin F2alpha anion

Prostalmon F

Prostin F2 Alpha

U-14583

U-14583; PGF2ALPHA-THAM; U-14583E

U-14583E

USAN

USAN); Dinoprost Trometamol (BAN)

USAN); Dinoprost Trometamol (BAN); Dinoprost Tromethamine (FDA

USAN); Dinoprost Tromethamine (FDA

USP

USP)

Zinoprost

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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) 3.05 5.6 -49.94 3 5 -1 101 353.479 12 ↓
Hi High (pH 8-9.5) -0.55 -2.55 -8.97 2 4 0 67 132.115 0 ↓
Lo Low (pH 4.5-6) 3.05 3.63 -9.76 4 5 0 98 354.487 12 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AK1C3_HUMAN; AK1C3_PONAB; CBR1_BOVIN; CBR1_HUMAN; CBR1_MACFA; CBR1_MOUSE; CBR1_PIG; CBR1_PONAB; CBR1_RABIT; CBR1_RAT; PE2R_RABIT; PGFS1_BOVIN; PGFS2_BOVIN; PGFS_BOVIN; PGFS_DANRE; PGFS_HUMAN; PGFS_LEIMA; PGFS_LITCT; PGFS_MOUSE; PGFS_PIG; PGFS_PONAB; PGFS_ ChEBI
UniProt Database Links CBR1_BOVIN; CBR1_HUMAN; CBR1_MACFA; CBR1_MOUSE; CBR1_PIG; CBR1_PONAB; CBR1_RABIT; CBR1_RAT; FPRP_HUMAN; FPRP_MOUSE; FPRP_RAT; IFNT1_BOVIN; IFNT1_SHEEP; IFNT2_BOVIN; IFNT2_SHEEP; IFNT3_BOVIN; IFNT3_SHEEP; IFNT4_SHEEP; IFNT5_SHEEP; IFNT6_SHEEP; IFNT7_SHEEP ChEBI
Reactome Database Links REACT_150185; REACT_150186; REACT_150194; REACT_150241; REACT_15291; REACT_18276; REACT_22263; REACT_22436; REACT_23779 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PD2R-2-E Prostanoid DP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4500 0.30 Binding ≤ 10μM
PE2R1-2-E Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 380 0.36 Binding ≤ 10μM
PE2R3-2-E Prostanoid EP3 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 322 0.36 Binding ≤ 10μM
PE2R4-2-E Prostanoid EP4 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4200 0.30 Binding ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.46 Binding ≤ 10μM
PE2R1-2-E Prostanoid EP1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 600 0.35 Functional ≤ 10μM
PE2R3-2-E Prostanoid EP3 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2300 0.32 Functional ≤ 10μM
PF2R-1-E Prostaglandin F2-alpha Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.43 Functional ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.33 Functional ≤ 10μM
Z50589-1-O Felis Catus (cluster #1 Of 2), Other Other 7 0.46 Functional ≤ 10μM
Z80530-2-O Swiss-3T3 (Fibroblast Cells) (cluster #2 Of 2), Other Other 25 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 220 0.37 Binding ≤ 1μM
PE2R3_HUMAN P43115 Prostanoid EP3 Receptor, Human 110 0.39 Binding ≤ 1μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 119 0.39 Binding ≤ 1μM
PF2R_BOVIN P37289 Prostanoid FP Receptor, Bovin 129 0.39 Binding ≤ 1μM
PD2R_HUMAN Q13258 Prostanoid DP Receptor, Human 4500 0.30 Binding ≤ 10μM
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 220 0.37 Binding ≤ 10μM
PE2R3_HUMAN P43115 Prostanoid EP3 Receptor, Human 110 0.39 Binding ≤ 10μM
PE2R4_HUMAN P35408 Prostanoid EP4 Receptor, Human 4200 0.30 Binding ≤ 10μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 119 0.39 Binding ≤ 10μM
PF2R_BOVIN P37289 Prostanoid FP Receptor, Bovin 129 0.39 Binding ≤ 10μM
Z50589 Z50589 Felis Catus 6.7 0.46 Functional ≤ 10μM
PF2R_MOUSE P43117 Prostaglandin F2-alpha Receptor, Mouse 24.5 0.43 Functional ≤ 10μM
PE2R1_HUMAN P34995 Prostanoid EP1 Receptor, Human 600 0.35 Functional ≤ 10μM
PE2R3_HUMAN P43115 Prostanoid EP3 Receptor, Human 2300 0.32 Functional ≤ 10μM
PF2R_HUMAN P43088 Prostanoid FP Receptor, Human 24.5 0.43 Functional ≤ 10μM
Z80530 Z80530 Swiss-3T3 (Fibroblast Cells) 24.5 0.43 Functional ≤ 10μM
TA2R_HUMAN P21731 Thromboxane A2 Receptor, Human 1400 0.33 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
G alpha (q) signalling events
Prostanoid ligand receptors
Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
Transport of organic anions

Reactome Annotations from Targets (via Uniprot)

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

Analogs ( Draw Identity 99% 90% 80% 70% )