General Information of Drug (ID: DM7G4Y9)

Drug Name
Ralinepag
Synonyms
UNII-CQY12ZJN6E; CQY12ZJN6E; 1187856-49-0; Ralinepag [USAN:INN]; Ralinepag (USAN/INN); SCHEMBL1118504; SCHEMBL1118506; SCHEMBL12786473; CHEMBL3919269; CHEMBL3301604; AKOS027337124; DB12462; 2-((trans-4-((((4-Chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetic acid; Acetic acid, 2-((trans-4-(((((4-chlorophenyl)phenylamino)carbonyl)oxy)methyl)cyclohexyl)methoxy)-; HY-16751; CS-0012350; J3.614.088G; D10725
Indication
Disease Entry ICD 11 Status REF
Pulmonary arterial hypertension BB01.0 Phase 2 [1]
Pulmonary hypertension BB01 Phase 2 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 431.9
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H26ClNO5
IUPAC Name
2-[[4-[[(4-chlorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
Canonical SMILES
C1CC(CCC1COCC(=O)O)COC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)
InChIKey
NPDKXVKJRHPDQT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44219292
CAS Number
1187856-49-0
DrugBank ID
DB12462
TTD ID
D0M4TJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostacyclin receptor (PTGIR) TTOFYT1 PI2R_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pulmonary arterial hypertension
ICD Disease Classification BB01.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostacyclin receptor (PTGIR) DTT PTGIR 7.12E-02 -0.13 -0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT02279745) Long Term Safety and Efficacy of APD811 in Pulmonary Arterial Hypertension. U.S. National Institutes of Health.