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) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
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
CHEBI:111173
CAS Number
29925-17-5
TTD ID
D07FHZ

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
Interleukin-10 (IL10) OTIRFRXC IL10_HUMAN Protein Interaction/Cellular Processes [4]
Renin (REN) OT52GZR2 RENI_HUMAN Protein Interaction/Cellular Processes [5]
Tumor necrosis factor (TNF) OT4IE164 TNFA_HUMAN Protein Interaction/Cellular Processes [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 Phosphodiesterase type 4 inhibitors, but not glucocorticoids, are more potent in suppression of cytokine secretion by mononuclear cells from atopic than nonatopic donors. J Allergy Clin Immunol. 1998 Nov;102(5):797-804. doi: 10.1016/s0091-6749(98)70020-x.
5 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.