Details of the Drug

General Information of Drug (ID: DMBVIKY)

Drug Name

Cilostamide

Synonyms

cilostamide; 68550-75-4; ciloalamide; OPC 3689; Cilostamide [INN]; N-Cyclohexyl-N-methyl-4-(1,2-dihydro-2-oxo-6-quinolyloxy)butyramide; Cilostamidum [INN-Latin]; Cilostamida [INN-Spanish]; UNII-45S5605Q18; OPC 3869; CHEMBL34431; NCGC00015269-03; N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide; 45S5605Q18; Butanamide, N-cyclohexyl-4-((1,2-dihydro-2-oxo-6-quinolinyl)oxy)-N-methyl-; N-Cyclohexyl-N-methyl-4-((2-oxo-1,2-dihydroquinolin-6-yl)oxy)butanamide; DSSTox_RID_80698; DSSTox_CID_25140; DSSTox_GSID_45140

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)

342.4

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C20H26N2O3
IUPAC Name: N-cyclohexyl-N-methyl-4-[(2-oxo-1H-quinolin-6-yl)oxy]butanamide
Canonical SMILES: CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3
InChI: InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
InChIKey: UIAYVIIHMORPSJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2753
ChEBI ID: CHEBI:92503
CAS Number: 68550-75-4
TTD ID: D0J0CB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 3 (PDE3)	TTZCG4L	NOUNIPROTAC	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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: 5167).
2	Phosphodiesterase 3 as a potential target for therapy of malignant tumors in the submandibular gland. Anticancer Drugs. 2001 Jan;12(1):79-83.