UCSF

ZINC00601281

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 30 Yes

Popular Name: Alfentanil Alfentanil

Find On: PubMed — Wikipedia — Google

CAS Numbers: 69049-06-5 , 71195-58-9

Other Names:

fentanil

nil

5-26-13-00110 (Beilstein Handbook Reference)

69049-06-5; Alfenta (TN); Alfentanil hydrochloride (USP); D00835

70879-28-6 (hydrochloride)

71195-58-9

71195-58-9; Alfentanil (INN); D07122; Rapifen (TN)

71195-58-9; Alfentanil; C08005

AC1L1ARM

AC1Q6F0S

Alfenta

Alfenta; Alfentanil hydrochloride; Alfentanil hydrochloride [USAN]; EINECS 273-846-3; LS-119260; N-(1-(2-(4-Ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-4-(methoxymethyl)piperidin-4-yl)-N-phenylpropionamide hydrochloride; Propanamide, N-(1-(2-(4-ethyl-

ALFENTA; ALFENTANIL; ALFENTANIL HYDROCHLORIDE; Alfentanil hydrochlorid-1-wasser; Alfentanil hydrochloride monohydrate; C21H32N6O3.HCl; LS-176849; N-(1-(2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)-ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilide monohydrochlori

Alfentanil (BAN

Alfentanil (INN)

Alfentanil Hydrochloride

Alfentanil [INN:BAN]

alfentanil; alfentanilum

Alfentanil; Alfentanyl; N-(1-(2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilide

Alfentanilum

Alfentanilum [INN-Latin]

Alfentanilum [INN-Latin];Alfentanyl

Alfentanyl

BRN 1188293

C08005

CHEBI:127190

CHEBI:2569

CHEMBL634

CID51263

D07122

DAP001134

DB00802

DEA No. 9737

Fentalim

HSDB 6789

INN); Alfentanil HCl (FDA

INN); Alfentanil Hydrochloride (FDA

L001231

LS-119259

MolPort-004-285-887

N-(1-(2-(4-Ethyl-4,5-dihydro-5-oxotetrazolyl)ethyl)-4-(methoxymethyl)-4-piperidyl)-N-phenylpropionamid

N-(1-(2-(4-Ethyl-4,5-dihydro-5-oxotetrazolyl)ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilid

N-(1-(2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilide

N-[1-[2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl]-4-(methoxymethyl)-4-piperidyl]propionanilide

N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide

N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[(methyloxy)methyl]piperidin-4-yl}-N-phenylpropanamide

OX-51

Propanamide, N-(1-(2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl)-4-(methoxymethyl)-4-piperidinyl)-N-phenyl-

R-39209

Rapifen

Rapifen (TN)

UNII-1N74HM2BS7

USAN

USAN)

USP

USP)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.14 2.76 -43.48 1 9 1 86 417.534 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.52e-01 g/l DrugBank-approved

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 8 0.38 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 8 0.38 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 15 0.37 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 8 0.38 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 2 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 8.21 0.38 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 8.21 0.38 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 15 0.37 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 8.21 0.38 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 8.21 0.38 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 8.21 0.38 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 8.21 0.38 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 15 0.37 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 8.21 0.38 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 8.21 0.38 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 2.01 0.41 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors

Analogs ( Draw Identity 99% 90% 80% 70% )