UCSF

ZINC00001681

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: Meperidine hydrochloride Meperidine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 50-13-5 , 57-42-1

Other Names:

(+-)-1-Methyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester hydrochloride; (+-)-Pethidine hydrochloride; 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl ester, hydrochloride, (+-)-; LS-114739

(+-)-Pethidine hydrochloride; 1-Methyl-4-carbethoxy-4-phenylpiperidine hydrochloride; 1-Methyl-4-phenyl-4-carboethoxypiperidine hydrochloride; 1-Methyl-4-phenylisonipecotic acid ethyl ester hydrochloride; 4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, e

eridine

1-Methyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester

1-Methyl-4-phenyl-piperidin-4-carbon-saeure-aethylester

1-Methyl-4-phenyl-piperidin-4-carbon-saeure-aethylester [German]

1-Methyl-4-phenylisonipecotic acid, ethyl ester

1-Methyl-4-phenylpiperidine-4-carboxylic acid ethyl ester

301

4-Carbethoxy-1-methyl-4-phenylpiperidine

4-Piperidinecarboxylic acid, 1-methyl-4-phenyl-, ethyl ester

50-13-5 (hydrochloride)

50-13-5; D01383; Demerol (TN); Meperidine hydrochloride (USP); Pethidine hydrochloride (JP16)

57-42-1

57-42-1; C07128; Meperidine; Pethidine

57-42-1; D08343; Meperidine; Pethidine (INN); Pethidine DBL (TN)

610593_ALDRICH

610593_FLUKA

AC1L1HBJ

BAN); Meperidine HCl (FDA

BAN); Meperidine HCl (USP

C07128

Centralgin

CHEBI:122528

CHEMBL607

CID4058

D008614

D08343

DAP000230

DB00454

DEA No. 9230

Demarol

Demerol

Dispadol

DivK1c_000983

Dolantin

Dolcontral

Dolosal

Dolsin

EINECS 200-329-1

Ethyl 1-methyl-4-phenylisonipecotate

Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate

ethyl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride

FDA); Pethidine HCl (JAN)

HSDB 3116

IDI1_000983

INN); Pethidine Hydrochloride (JAN)

Isonipecain

Isonipecaine

Isonipecotic acid, 1-methyl-4-phenyl-, ethyl ester

KBio1_000983

L000908

Lidol

LS-85121

Lydol

Meperidine

Meperidine Hcl

Meperidine Hydrochloride

Meperidine Hydrochloride (FDA

Meperidine hydrochloride preservative free

Meperidine solution

Meperidol

Methyl phenylpiperidine carbonic acid ethyl ester

MFCD00058210

MolPort-001-785-564

N-Methyl-4-phenyl-4-carbethoxypiperidine

Nemerol

NINDS_000983

Operidine

Operidine EPJ I

Operidine EPJ-I

Petantin

Pethanol

Pethidin

Pethidine

Pethidine (INN

Pethidine (INN)

Pethidine DBL

Pethidine DBL (TN)

Pethidineter

Pethidinum

Pethidinum [INN-Latin]

Petidina

Petidina [INN-Spanish]

Petydyna

Petydyna [Polish]

Phetidine

Piperosal

Pipersal

Piridosal

Spasmodlin

UNII-9E338QE28F

USP); Pethidine (BAN

USP); Pethidine HCl (JAN)

YIsonipecotic acid, 1-methyl-4-phenyl-, ethyl ester (8CI)

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) 2.65 9.33 -37.01 1 3 1 31 248.346 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.642 Bitter DB
ALOGPS_SOLUBILITY 1.11e+00 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 500 0.49 Binding ≤ 10μM
OPRK-3-E Kappa Opioid Receptor (cluster #3 Of 6), Eukaryotic Eukaryotes 500 0.49 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 500 0.49 Binding ≤ 10μM
SC6A4-3-E Serotonin Transporter (cluster #3 Of 4), Eukaryotic Eukaryotes 412 0.50 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 6000 0.41 Binding ≤ 10μM
SC6A3-1-E Dopamine Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 610 0.48 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 610 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 500 0.49 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 500 0.49 Binding ≤ 1μM
OPRK_MOUSE P33534 Kappa Opioid Receptor, Mouse 500 0.49 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 500 0.49 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 920 0.47 Binding ≤ 1μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 500 0.49 Binding ≤ 1μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 413 0.50 Binding ≤ 1μM
SGMR1_MOUSE O55242 Sigma Opioid Receptor, Mouse 500 0.49 Binding ≤ 1μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 500 0.49 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 500 0.49 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 6000 0.41 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 500 0.49 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 6000 0.41 Binding ≤ 10μM
OPRK_MOUSE P33534 Kappa Opioid Receptor, Mouse 500 0.49 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 2370 0.44 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 920 0.47 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 6000 0.41 Binding ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 500 0.49 Binding ≤ 10μM
SC6A4_RAT P31652 Serotonin Transporter, Rat 413 0.50 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 6000 0.41 Binding ≤ 10μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 500 0.49 Binding ≤ 10μM
SGMR1_MOUSE O55242 Sigma Opioid Receptor, Mouse 500 0.49 Binding ≤ 10μM
SC6A3_RAT P23977 Dopamine Transporter, Rat 610 0.48 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 610 0.48 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine clearance from the synaptic cleft
G alpha (i) signalling events
G-protein activation
Na+/Cl- dependent neurotransmitter transporters
Opioid Signalling
Peptide ligand-binding receptors

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