Details of the Drug

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]
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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
UNII: CQY12ZJN6E
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.