General Information of Drug (ID: DM4XAU7)

Drug Name
PGF2alpha
Synonyms Amoglandin; Cerviprost; Cyclosin; Enzaprost; Panacelan; prostaglandin F2alpha
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Clinical trial [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 354.5
Topological Polar Surface Area (xlogp) 2.7
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H34O5
IUPAC Name
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Canonical SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)O)O)O)O
InChI
InChI=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
InChIKey
PXGPLTODNUVGFL-YNNPMVKQSA-N
Cross-matching ID
PubChem CID
5280363
ChEBI ID
CHEBI:15553
CAS Number
551-11-1
DrugBank ID
DB12789
TTD ID
D00HTY
VARIDT ID
DR00007
INTEDE ID
DR1917

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin D2 receptor (PTGDR) TTNVEIR PD2R_HUMAN Agonist [2]
Prostaglandin D2 receptor 2 (PTGDR2) TTQDMX5 PD2R2_HUMAN Agonist [3]
Prostaglandin E2 receptor EP1 (PTGER1) TTG1QMU PE2R1_HUMAN Agonist [4]
Prostaglandin E2 receptor EP2 (PTGER2) TT1ZAVI PE2R2_HUMAN Agonist [5]
Prostaglandin E2 receptor EP3 (PTGER3) TTPNGDE PE2R3_HUMAN Agonist [6]
Prostaglandin E2 receptor EP4 (PTGER4) TT79WV3 PE2R4_HUMAN Agonist [4]
Prostaglandin F2-alpha receptor (PTGFR) TTT2ZAR PF2R_HUMAN Agonist [7]
Thromboxane A2 receptor (TBXA2R) TT2O84V TA2R_HUMAN Agonist [2]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic anion transporting polypeptide 2A1 (SLCO2A1) DT021JD SO2A1_HUMAN Substrate [8]
Organic anion transporting polypeptide 3A1 (SLCO3A1) DTVNRXW SO3A1_HUMAN Substrate [9]
Organic anion transporter 2 (SLC22A7) DT0OC1Q S22A7_HUMAN Substrate [10]
Organic anion transporter 4 (SLC22A11) DT06JWZ S22AB_HUMAN Substrate [11]
Multidrug resistance-associated protein 4 (ABCC4) DTCSGPB MRP4_HUMAN Substrate [12]
Organic cation transporter 1 (SLC22A1) DTT79CX S22A1_HUMAN Substrate [11]
Organic anion transporter 1 (SLC22A6) DTQ23VB S22A6_HUMAN Substrate [11]
Organic cation transporter 2 (SLC22A2) DT9IDPW S22A2_HUMAN Substrate [11]
Organic anion transporter 3 (SLC22A8) DTVP67E S22A8_HUMAN Substrate [11]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
NADPH-dependent carbonyl reductase 1 (CBR1)
Main DME
DE9JFMC CBR1_HUMAN Substrate [13]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin F2-alpha receptor (PTGFR) DTT PTGFR 8.25E-02 -0.05 -0.14
Organic anion transporter 3 (SLC22A8) DTP OAT3 5.19E-01 -8.88E-03 -2.08E-02
Organic anion transporting polypeptide 3A1 (SLCO3A1) DTP OATP3A1 1.83E-05 3.48E-01 6.12E-01
Organic cation transporter 1 (SLC22A1) DTP SLC22A1 8.54E-01 1.24E-02 7.20E-02
Organic anion transporter 1 (SLC22A6) DTP OAT1 7.18E-01 -4.56E-02 -1.42E-01
Multidrug resistance-associated protein 4 (ABCC4) DTP MRP4 3.73E-06 2.82E-01 7.01E-01
Organic cation transporter 2 (SLC22A2) DTP SLC22A2 8.22E-01 -1.05E-02 -3.83E-02
Organic anion transporter 2 (SLC22A7) DTP OAT2 5.96E-02 -5.09E-02 -3.48E-01
Organic anion transporter 4 (SLC22A11) DTP OAT4 4.61E-04 -7.04E-02 -3.49E-01
Organic anion transporting polypeptide 2A1 (SLCO2A1) DTP OATP2A1 3.03E-03 -9.85E-02 -3.19E-01
NADPH-dependent carbonyl reductase 1 (CBR1) DME CBR1 3.47E-01 1.55E-01 2.60E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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