Details of the Drug

General Information of Drug (ID: DMEGFYD)

Drug Name

Cinitapride

Synonyms

Cinitapride; 66564-14-5; Cidine; cinitapride tartrate; Blaston; Cinitapride [INN]; C21H30N4O4; Cinitapride hydrogen tartrate; Cinitapride (INN); 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide; Cinitapridum; Cinitaprida; Paxapride; Cinitapridum [INN-Latin]; Cinitaprida [INN-Spanish]; cidin; Cintapro; Cinmove; UNII-R8I97I2L24; Paxapride (TN); AC1Q1YMD; AC1L2AM4; (non-labelled)Cinitapride-d5; SCHEMBL476454; SCHEMBL19235643; CHEMBL2104523; CHEBI:135642; R8I97I2L24; BCP04096; AKOS015909742; DB08810

Indication

Disease Entry	ICD 11	Status	REF
Functional dyspepsia	DD90.3	Phase 3	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

402.5

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 3 - 5 hours [2]

Chemical Identifiers

Formula: C21H30N4O4
IUPAC Name: 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide
Canonical SMILES: CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N
InChI: InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
InChIKey: ZDLBNXXKDMLZMF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 68867
ChEBI ID: CHEBI:135642
CAS Number: 66564-14-5
DrugBank ID: DB08810
TTD ID: D0L3EO
INTEDE ID: DR1905

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[3]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Substrate	[3]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01355276) Efficacy and Safety of Cinitapride Tablets in the Treatment of Mild to Moderate Functional Dyspepsia. U.S. National Institutes of Health.
2	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	The prokinetic cinitapride has no clinically relevant pharmacokinetic interaction and effect on QT during coadministration with ketoconazole. Drug Metab Dispos. 2007 Jul;35(7):1149-56.