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]
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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

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]

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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.