Details of the Drug

General Information of Drug (ID: DMLD4VQ)

Drug Name

RPL-554

Synonyms

RPL-565; VMX-554; VMX-565; PDE 3/PDE 4 inhibitors, Kings College; PDE3/4 inhibitors (respiratory therapeutics), Rhinopharma; PDE3/4 inhibitors (nasal, respiratory disease), Verona Pharma; Trequinsin analogs (respiratory therapeutics), Kings College/Vernalis/Rhinopharma

Indication

Disease Entry	ICD 11	Status	REF
Allergic rhinitis	CA08.0	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

477.6

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C26H31N5O4
IUPAC Name: 2-[9,10-dimethoxy-4-oxo-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-3-yl]ethylurea
Canonical SMILES: CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2CCNC(=O)N)OC)OC)C
InChI: InChI=1S/C26H31N5O4/c1-15-10-16(2)24(17(3)11-15)29-23-14-20-19-13-22(35-5)21(34-4)12-18(19)6-8-30(20)26(33)31(23)9-7-28-25(27)32/h10-14H,6-9H2,1-5H3,(H3,27,28,32)
InChIKey: CSOBIBXVIYAXFM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9934746
CAS Number: 298680-25-8
TTD ID: D08VHG

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
Phosphodiesterase 3 (PDE3)	TTZCG4L	NOUNIPROTAC	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT02427165) Comparison of RPL554 With Placebo and Salbutamol in Asthmatic Patients. U.S. National Institutes of Health.
2	Efficacy and safety of RPL554, a dual PDE3 and PDE4 inhibitor, in healthy volunteers and in patients with asthma or chronic obstructive pulmonary disease: findings from four clinical trials.Lancet Respir Med.2013 Nov;1(9):714-27.