Bioactive Compound Details

BioIDbio82916
NameDINOPROST
ChEMBL IDCHEMBL815
Molecular FormulaC20H34O5
Molecular Weight354.49
Molecular Weight (Monoisotopic)354.2406
TypeSmall molecule
Max PhasePhase 4
Target IDTar58
Target NameNone
SynonymsDINOPROST|Dinoprost|PGF2A|PGF2ALPHA|PROSMON|PROSTAGLANDIN F2-ALPHA|PROSTAGLANDIN F2.ALPHA.|PROSTAGLANDIN F2ALPHA|U-14,583|U-14583
SmilesCCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O
InchiInChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
Inchi KeyPXGPLTODNUVGFL-YNNPMVKQSA-N
Molecular SpeciesACID
Targets102.0
Bioactivities199.0
Np Likeness Score1.94
Records Key['1', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', '9', 'PGF2-alpha', 'PGF2 alpha', '(15S)-PGF2-alpha', '9', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', 'Prostaglandin F2a', 'PGF2', '150 PGF2-alpha', '1', 'PGF2alpha', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', 'PGF2alpha', 'PGF2alpha', 'PGF2-alpha', 'Prostaglandin F2alpha', 'SID144205330', '1', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', 'DINOPROST', 'PGF2-alpha', 'PROSTAGLANDIN F2 ALPHA', 'DINOPROST', 'PGF2alpha', 'PGF2alpha', 'Prostaglandin F2a', 'Dinoprost', 'dinoprost', 'SID29216066', 'Prostaglandin F2?', 'PGF2alpha', 'Prostaglandin F2?', 'Prostaglandin F2?', 'COVC-0678157842', 'EUB0000405a', 'EUB0000405a', 'EUB0000405a', 'BA1000596', 'dinoprost']
Records Name['(Z)-7-[(1R,3R,5S)-3,5-Dihydroxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', '7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', '7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', '(Z)-7-[(1R,3R,5S)-3,5-Dihydroxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', '(S-isomer)7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', '7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', '7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', 'Prostaglandin F2alpha7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', '(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', '(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxyoct-1-enyl)cyclopentyl)hept-5-enoic acid', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', '(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxyoct-1-enyl)cyclopentyl)hept-5-enoic acid', 'Prostaglandin F2alpha', '(Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(S)-3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', 'Prostaglandin F2alpha', 'SID144205330', '7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid (PGF2alpha)', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', 'DINOPROST', '7-[3,5-Dihydroxy-2-(3-hydroxy-oct-1-enyl)-cyclopentyl]-hept-5-enoic acid', 'PROSTAGLANDIN F2 ALPHA', 'DINOPROST', 'Prostaglandin F2alpha', 'Prostaglandin F2alpha', 'Prostaglandin F2a', 'Dinoprost', 'dinoprost', 'SID29216066', 'Prostaglandin F2?', 'Prostaglandin F2alpha', 'Prostaglandin F2?', 'Prostaglandin F2?', 'DINOPROST', 'DINOPROST', 'DINOPROST', 'DINOPROST', 'DINOPROST', 'dinoprost']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure