Details of the Drug

General Information of Drug (ID: DM0PSCF)

Drug Name

Ro 20-1724

Synonyms

4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone; RO 20-1724; 29925-17-5; 4-(3-Butoxy-4-methoxybenzyl)imidazolidin-2-one; ro-20-1724; Ro 201724; CHEMBL18701; 4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one; 2-Imidazolidinone, 4-((3-butoxy-4-methoxyphenyl)methyl)-; RO-201724; 2-Imidazolidinone, 4-((3-butoxy-4-methoxyphenyl)methyl)-, (+-)-; 4-(3-butoxy-4-methoxy-benzyl)imidazolidin-2-one; 34185-37-0; 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone; SR-01000075647; keratan sulfate I; Keratan sulphate I; Naphthoquinone analogs

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

278.35

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C15H22N2O3
IUPAC Name: 4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one
Canonical SMILES: CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC
InChI: InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
InChIKey: PDMUULPVBYQBBK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5087
ChEBI ID: CHEMBL18701
CAS Number: 29925-17-5
TTD ID: D07FHZ

Drug-Molecule Activity Atlas (DMA)^NEW

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Drug Pharmacogenomic Perturbation (DPP)^NEW

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Drug ADMET Endpoint Profile (DAE)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
M-phase inducer phosphatase 1 (MPIP1)	TTLZS4Q	MPIP1_HUMAN	Inhibitor	[2]
Phosphodiesterase 4 (PDE4)	TTV5CGO	NOUNIPROTAC	Inhibitor	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Renin (REN)	OT52GZR2	RENI_HUMAN	Protein Interaction/Cellular Processes	[4]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5258).
2	Role of the Cdc25A phosphatase in human breast cancer. J Clin Invest. 2000 Sep;106(6):753-61.
3	Increased interleukin-4 production by atopic mononuclear leukocytes correlates with increased cyclic adenosine monophosphate-phosphodiesterase activity and is reversible by phosphodiesterase inhibition. J Invest Dermatol. 1993 May;100(5):681-4.
4	Beta-adrenergic regulation of renin expression in differentiated U-937 monocytic cells. Biochem Pharmacol. 1997 Jun 15;53(12):1883-8. doi: 10.1016/s0006-2952(97)00058-0.