UCSF

ZINC12503099

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 21 Yes

Popular Name: Triprolidine hydrochloride Triprolidine hydrochloride

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CAS Numbers: 486-12-4 , 550-70-9 , 6138-79-0 , 6138-79-0, 550-70-9 , 6138-79-0, 550-70-9 [anhydrous], 486-12-4 [triprolidine] , [550-70-9]

Other Names:

(E)-2-(1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)pyridine

(E)-2-(3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)pyridine monohydrochloride monohydrate; 2-[(1E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-en-1-yl]pyridine hydrochloride hydrate; 2-[(1Z)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-en-1-yl]pyridine hydrochlorid

(E)-2-[3-(1-Pyrrolidinyl)-1-p-tolylpropenyl]pyridine hydrochloride

2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylprop-1-enyl]pyridine chloride

2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine

2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine hydrochloride

295 C 51

295 C 51; Actidil; Actidilat; C19H22N2.HCl; EINECS 208-985-0; Entra; LS-131942; Pro-Actidil; Pro-Entra; Pyridine, 2-((1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-, monohydrochloride; Pyridine, 2-(1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)

486-12-4

486-12-4 (Parent)

486-12-4; D08648; Triprolidine (INN)

550-70-9

550-70-9 (mono-hydrochloride)

550-70-9; Prestwick_575; Triprolidine hydrochloride

6138-79-0

6138-79-0 (mono-hydrochloride, mono-hydrate)

6138-79-0; D01782; Triprolidine hydrochloride (USP); Triprolidine hydrochloride hydrate (JAN); Venen (TN)

AC-15905

AC1NR02Y

AC1NWAR4

AC1O5G9Y

Actidil

Actidilat

Actifed; Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-, mixt. with 2-((1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)pyridine monohydrochloride; Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R

BIDD:GT0569

BIM-0025383.P001

BPBio1_000116

BRD-K11742128-003-05-1

BSPBio_000104

BSPBio_002255

C19H22N2

C19H22N2.HCl

CCRIS 7212

CCRIS 7215

CHEBI:165539

CHEMBL1200450

CHEMBL855

CID5282443

CID5702129

CID6433473

D08648

DAP001065

DB00427

EINECS 207-627-0

EINECS 208-985-0

Entra

EU-0101130

FT-0082802

Histafed

HMS1568F06

HMS1921I07

HMS2089M21

HSDB 6316

IDI1_000297

INN); Triprolidine HCl (FDA

INN); Triprolidine Hydrochloride (FDA

JAN

JAN)

L000901

LS-1293

LS-131942

LS-190040

MFCD00038040

MFCD00039044

MLS000028751

MLS001148254

MLS002207213

MLS002222226

MolPort-003-182-178

MolPort-003-666-303

Myidyl

NCGC00024714-02

NCGC00024714-03

NCGC00024714-04

NCGC00024714-05

NCGC00024714-06

NCGC00094397-01

NCGC00094397-02

NCGC00094397-03

NCI-C61450

Prestwick2_000262

Prestwick3_000262

Prestwick_575

Pro-Actidil

Pro-Entra

Pyridine, 2-((1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl)-, hydrochloride (1:1)

Pyridine, 2-((1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-, monohydrochloride

Pyridine, 2-(1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-, (E)-

Pyridine, 2-(1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-, monohydrochloride, (E)-

Pyridine, 2-(1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-, monohydrochloride, monohydrate, (E)-

Pyridine, 2-(3-(1-pyrrolidinyl)-1-p-tolylpropenyl)-, (E)-

Pyridine, 2-(3-(1-pyrrolidinyl)-1-p-tolylpropenyl)-, monohydrochloride, (E)-

Pyridine, 2-(3-(1-pyrrolidinyl)-1-p-tolylpropenyl)-, monohydrochloride, monohydrate, stereoisomer

QA-8370

SMR000058521

SPECTRUM1500598

Spectrum5_001467

T 6764

trans-1-(2-Pyridyl)-3-pyrrolidino-1-p-tolylprop-1-ene

trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-pyrrolidinoprop-1-ene

trans-2-(3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)pyridine

trans-2-(3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)pyridine monohydrochloride

Tripolidina

Tripolidina [INN-Spanish]

Triprolidin

Triprolidine

Triprolidine (BAN

Triprolidine (INN)

Triprolidine HCL

Triprolidine Hydrochloride (anhydrous)

Triprolidine hydrochloride anhydrous

Triprolidine Monohydrochloride

Triprolidine Monohydrochloride, Monohydrate

Triprolidine [INN:BAN]

Triprolidinum

Triprolidinum [INN-Latin]

UNII-2L8T9S52QM

UNII-YAN7R5L890

USP

USP)

Venen

Venen (TN)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.47 11.37 -38.89 1 2 1 17 279.407 4 ↓
Hi High (pH 8-9.5) 3.47 8.91 -5.89 0 2 0 16 278.399 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.37e-02 g/l DrugBank-approved
therap antihistaminic MicroSource Spectrum
PUBCHEM_PATENT_ID EP0842175A1; US5753671; US5866588 IBM Patent Data
Therapy Potent H1 histamine receptor antagonist SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH1-2-E Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.58 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 2512 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 1.6 0.59 Binding ≤ 1μM
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 1.6 0.59 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 2511.88643 0.37 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Histamine receptors

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