Details of the Drug

General Information of Drug (ID: DM95Z4Q)

Drug Name

(R)-Rolipram

Synonyms

(R)-(-)-Rolipram; 85416-75-7; (R)-ROLIPRAM; (4R)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE; R-Rolipram; UNII-DPX51KUP08; DPX51KUP08; CHEMBL430893; CHEBI:40133; 1xmy; NCGC00016899-01; CAS-61413-54-5; Tocris-1349; Tocris-0905; Tocris-1350; PubChem18284; 1ro6; 3g4k; 1q9m; AC1L9LJS; Lopac-R-6520; SCHEMBL576805; ZINC4982; KS-00000QDB; MolPort-003-983-801; HMS3267P19; BCP14111

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

275.34

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H21NO3
IUPAC Name: (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
Canonical SMILES: COC1=C(C=C(C=C1)[C@H]2CC(=O)NC2)OC3CCCC3
InChI: InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKey: HJORMJIFDVBMOB-LBPRGKRZSA-N

Cross-matching ID

PubChem CID: 448055
ChEBI ID: CHEBI:40133
CAS Number: 85416-75-7
DrugBank ID: DB04149
TTD ID: D01RUN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 4 (PDE4)	TTV5CGO	NOUNIPROTAC	Inhibitor	[1]
Phosphodiesterase 4A (PDE4A)	TTZ97H5	PDE4A_HUMAN	Inhibitor	[1]
Phosphodiesterase 4B (PDE4B)	TTVIAT9	PDE4B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phosphodiesterase 4A (PDE4A)	DTT	PDE4A	9.26E-01	-3.01E-03	-0.01
Phosphodiesterase 4B (PDE4B)	DTT	PDE4B	2.75E-01	-0.13	-0.3

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	PDE4 inhibitors roflumilast and rolipram augment PGE2 inhibition of TGF-{beta}1-stimulated fibroblasts. Am J Physiol Lung Cell Mol Physiol. 2009 Jun;296(6):L959-69.