Details of the Drug

General Information of Drug (ID: DM8TDBY)

Drug Name

OCFENTANIL

Synonyms

Ocfentanil < Rec INN; A-3217 (hydrochloride); N-(2-Fluorophenyl)-2-methoxy-N-[1-(2-phenylethyl)-4-piperidinyl]acetamide; 1-(2-Phenylethyl)-4-[N-(2-fluorophenyl)methoxyacetamido]piperidine; 2'-Fluoro-2-methoxy-N-(1-phenethyl-4-piperidinyl)acetanilide

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

370.5

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C22H27FN2O2
IUPAC Name: N-(2-fluorophenyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
Canonical SMILES: COCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F
InChI: InChI=1S/C22H27FN2O2/c1-27-17-22(26)25(21-10-6-5-9-20(21)23)19-12-15-24(16-13-19)14-11-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3
InChIKey: NYISTOZKVCMVEL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 60575
CAS Number: 101343-69-5
TTD ID: D04GLJ

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
Opioid receptor (OPR)	TTN4QDT	NOUNIPROTAC	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	A phase II clinical study of once-a-day fentanyl citrate patch in patients with cancer pain--switching from once-every-three-days fentanyl patch to once-a-day fentanyl citrate patch. Gan To Kagaku Ryoho. 2010 Sep;37(9):1747-52.
2	Comparison of ocfentanil and fentanyl as supplements to general anesthesia. Anesth Analg. 1991 Nov;73(5):622-6.