ALFENTANIL

Search structure
Synonyms:
Status: Approved (1986)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N01AH02
UNII: 1N74HM2BS7

Structure
InChI Key IDBPHNDTYPBSNI-UHFFFAOYSA-N
Smile CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
InChI
InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H32N6O3
Molecular Weight 416.53
AlogP 1.38
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 85.49
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
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Indications

Mesh Heading Maximum Phase Reference
Hypoxia Phase 4 ClinicalTrials
Biliary Tract Diseases; Pancreatic Diseases Phase 4 ClinicalTrials
Confusion; Digestive System Diseases; Gastrointestinal Diseases Phase 4 ClinicalTrials
Lung Neoplasms Phase 4 ClinicalTrials
Emergence Delirium; Psychomotor Agitation Phase 4 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 71195-58-9
ChEBI 2569
ChEMBL CHEMBL634
DrugBank DB00802
DrugCentral 114
EPA CompTox DTXSID9022570
FDA SRS 1N74HM2BS7
Human Metabolome Database HMDB0014940
Guide to Pharmacology 7108
KEGG C08005
PharmGKB PA448084
PubChem 51263
SureChEMBL SCHEMBL26256
ZINC ZINC000000601281
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