Details of the Drug

General Information of Drug (ID: DMUPWQT)

Drug Name
PGF1alpha
Synonyms U 18714; prostaglandin F1alpha
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 356.5
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H36O5
IUPAC Name
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid
Canonical SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O
InChI
InChI=1S/C20H36O5/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/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey
DZUXGQBLFALXCR-CDIPTNKSSA-N
Cross-matching ID
PubChem CID
5280939
ChEBI ID
CHEMBL28852
CAS Number
745-62-0
TTD ID
D0JF0W
VARIDT ID
DR01480
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cation channel sperm-associated protein (CatSper) TTWOCZI NOUNIPROTAC Activator [2]
Cation channel sperm-associated protein 1 (CatSper1) TT5CISB CTSR1_HUMAN Activator [2]
Cation channel sperm-associated protein 2 (CatSper2) TTOEGC4 CTSR2_HUMAN Activator [2]
Cation channel sperm-associated protein 3 (CatSper3) TTP52ZV CTSR3_HUMAN Activator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5412).
2 Progesterone activates the principal Ca2+ channel of human sperm. Nature. 2011 Mar 17;471(7338):387-91.