UCSF

ZINC00113404

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 19 Yes

Popular Name: Chlorpheniramine maleate Chlorpheniramine maleate

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 113-92-8 , 113-92-8, 132-22-9 [chlorpheniramine] , 1159788-59-6 , 132-22-9 , 2438-32-6 , 25523-97-1 , 7054-11-7 , [113-92-8] , [132-22-9] , [2438-32-6]

Other Names:

( )-(3-p-Chlorphenyl-3-pyrid-2'-ylpropyl)dimethylamin; ( )-N,N-Dimethyl-(3-(4-chlorphenyl)-3-(2-pyridyl)propyl)amin; (+)-Chlorpheniramine; 2-Pyridinepropanamine, gamma-(4-chlorophenyl)-N,N-dimethyl-, (S)-; C16H19ClN2; Chlo-amine; D-2-(p-Chloro-alpha-(2-di

()-Chlorpheniramine maleate salt

(+)-chlorpheniramine; (S)-(+)-2-[p-chloro-alpha-[2-(dimethylamino)ethyl]benzyl]pyridine; (S)-gamma-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine; Dexchlorpheniramine; d-chlorpheniramine

(¡À)-Chlorpheniramine maleate salt

1-(p-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane

1-(p-Chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine

1-(p-Chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine; 1-(p-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane; 2-(p-Chloro-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine; 2-Pyridinepropanamine, gamma-(4-chlorophenyl)-N,N-dimethyl-; 3-(p-Chlorophenyl)

1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine; 1-(p-chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane; 3-(p-chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine; chlorophenylpyridamine; clorfeniramina; gamma-(4-chlorophenyl)-N,N-dimethyl-2-py

113-92-8

113-92-8; Chlorpheniramine maleate; Prestwick_57

132-22-9

132-22-9; Chlorphenamine (INN); Chlorpheniramine; Clofeniramina (TN); D07398

2-(p-Chloro-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine

2-Pyridinepropanamine, .gamma.-(4-chlorophenyl)-N,N-dimethyl-

2-Pyridinepropanamine, .gamma.-(4-chlorophenyl)-N,N-dimethyl-, (S)-

2-Pyridinepropanamine, gamma-(4-chlorophenyl)-N,N-dimethyl-

2438-32-6; C07783; Dexchlorpheniramine maleate; d-Chlorpheniramine maleate

2438-32-6; D00668; Dexchlorpheniramine maleate (USP); Mylaramine (TN); Polaramine (TN); d-Chlorpheniramine maleate (JP16)

25523-97-1; D07803; Dapriton (TN); Dexchlorpheniramine (INN); d-Chloropheniramine

3-(4-Chlorophenyl)-N,N-dimethyl-3-(2-pyridinyl)-1-propanamine

3-(4-chlorophenyl)-N,N-dimethyl-3-(pyridin-2-yl)propan-1-amine

3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine

3-(p-Chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine

4-Chloropheniramine

42882-96-2

46970-45-0

60

AC1L1EBQ

AKOS001650136

Aller-Chlor

Allergican

Allergisan

Antagonate

BPBio1_000148

BRD-A04553218-050-03-0

BSPBio_000134

C06905

C16H19ClN2

CHEBI:52008; CHEBI:3644

CHEBI:52010

CHEMBL505

Chlo-Amine

Chlor-Pro

Chlor-Trimeton

Chlor-Trimeton Allergy

Chlor-Trimeton Repetabs

CHLOR-TRIMETON; CHLORPHENIRAMINE MALEATE; LS-187903; PSEUDOEPHEDRINE SULFATE

Chlor-trimeton;Chloropheniramine maleate;Chlorphenamine hydrogen maleate;Chlorphenamine Maleate;Chlorpheniaramine maleate;Chlorpheniramine;Chlorpheniramine Maleate;Teldrin

Chlor-Tripolon

Chlorate

Chloropheniramine

Chloropheniramine maleate

Chloropheniramine-d4

Chlorophenylpyridamin

Chlorophenylpyridamine

Chloropiril

Chloroprophenpyridamine

Chlorphenamine

Chlorphenamine (INN)

Chlorphenamine (INN); Chlorpheniramine (BAN); Chlorpheniramine Polistirex (FDA

Chlorphenamine maleate

Chlorphenamine [INN]

Chlorphenaminum

Chlorphenaminum [INN-Latin]

Chlorpheniramine

CHLORPHENIRAMINE (SEE ALSO: CHLORPHENIRAMINE MALEATE (CAS113-92-8))

Chlorpheniramine Maleate (FDA

Chlorpheniramine maleate, 99%

Chlorpheniraminum

Chlorprophenpyridamine

Chlortrimeton

CID2725

Clofeniramina

Clofeniramina (TN)

Clorfenamina

Clorfenamina [INN-Spanish]

Clorfeniramina

Clorfeniramina [Italian]

Cloropiril

CPD000466271; Chlorpheniramine; 113-92-8

CPD000466271; Chlorpheniramine; SAM001247022

CPD000471617; DEXCHLORPHENIRAMINE MALEATE; SAM001246557

D07398

DAP000336

Dapriton

DB01114

Dexchloropheniramine Maleate

Dexchlorpheniramine

Dexchlorpheniramine (BAN

Dexchlorpheniramine malea

DEXCHLORPHENIRAMINE MALEATE

dexchlorpheniramine; dexchlorpheniraminum; dexclorfeniramina

DEXCHLORPHENIRAMINEMALEATE

DivK1c_000596

Efidac 24 Chlorpheniramine Maleate

EINECS 205-054-0

FDA)

gamma-(4-Chlorophenyl)-gamma-(2-pyridyl)propyldimethylamine

gamma-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine

Gen-Allerate

Haynon

Hayon

Histadur

HMS2090M21

HSDB 3032

IDI1_000596

INN); D-Chlorpheniramine Maleate (JAN); Dexchlorpheniramine Maleate (FDA

INN); Dexchlorpheniramine Maleate (FDA

ISOCLOR

JAN

KBio1_000596

Kloromin

L000003

LS-754

MFCD00039125

MFCD00053581

MFCD00069225

MFCD00079046

MFCD00865695

MolPort-002-507-837

Mylaramine

n.-Propanamine, 3-(4-chlorophenyl)-3-(2-pyridyl)-N,N-dimethyl-

NCGC00015227-05

NCGC00162108-01

NINDS_000596

Novo-Pheniram

Oprea1_779072

Pediacare Allergy Formula

Phenetron

PiriIton

Piriton

Polaramine

Polaronil

Prestwick0_000117

Prestwick1_000117

Prestwick2_000117

Prestwick3_000117

Pyridamal 100

Pyridine, 2-(p-chloro-alpha-(2-(dimethylamino)ethyl)benzyl)-

QA-6758

SPBio_002073

STK736174

STOCK5S-99837

Telachlor

Teldrin

UNII-3U6IO1965U

USAN); Chlorpheniramine maleate (FDA

USAN); Chlorpheniramine Maleate (JAN

USP

USP)

USP); Chlorpheniramine (BAN); Chlorphenamine (INN)

USP); d-Chlorpheniramine Maleate (JAN)

[3-(4-chlorophenyl)-3-(pyridin-2-yl)propyl]dimethylamine; but-2-enedioic acid

[3H]Chlorpheniramine

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) 3.31 9.79 -40.83 1 2 1 17 275.803 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.97 Bitter DB
MP 112 - 115 Enamine Building Blocks
MP 112...115 Enamine Building Blocks
Melting_Point 130-135? Alfa-Aesar
Melting_Point 130-135° Alfa-Aesar
MP 135 TCI
ALOGPS_SOLUBILITY 5.19e-02 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
therap antihistamine MicroSource Spectrum
Therapy antihistaminic SMDC Pharmakon
PUBCHEM_PATENT_ID EP0153836A2; EP0180597A1; EP0180597B1; EP0188538A1; EP0214735A1; EP0214735B1; EP0267051A2; EP0267051B1; EP0351897A2; EP0367746A2; EP0367746B1; EP0493513B1; EP0505543A1; EP0530311A1; EP0584108B1; EP0602112A1; EP0608320A1; EP0608320B1; EP0608322A1; EP060832 IBM Patent Data
Target Histamine Receptor Selleck Chemicals
UniProt Database Links HRH4_HUMAN ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02129d; 1 maleic acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100728; 1 maleic acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02129d; SALT: 1 maleic acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100728; SALT: 1 maleic acid NIH Clinical Collection via PubChem

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 9 0.59 Binding ≤ 10μM
KCNH2-5-E HERG (cluster #5 Of 5), Eukaryotic Eukaryotes 4680 0.39 Binding ≤ 10μM
SCN1A-1-E Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.37 Binding ≤ 10μM
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.37 Binding ≤ 10μM
SCN3A-1-E Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.37 Binding ≤ 10μM
SCN8A-1-E Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.37 Binding ≤ 10μM
HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 12 0.58 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3900 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 66 0.53 Binding ≤ 1μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 2 0.64 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 1100 0.44 Binding ≤ 10μM
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 66 0.53 Binding ≤ 10μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 2 0.64 Binding ≤ 10μM
SCN1A_HUMAN P35498 Sodium Channel Protein Type I Alpha Subunit, Human 10000 0.37 Binding ≤ 10μM
SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 10000 0.37 Binding ≤ 10μM
SCN3A_HUMAN Q9NY46 Sodium Channel Protein Type III Alpha Subunit, Human 10000 0.37 Binding ≤ 10μM
SCN8A_HUMAN Q9UQD0 Sodium Channel Protein Type VIII Alpha Subunit, Human 10000 0.37 Binding ≤ 10μM
HRH1_CAVPO P31389 Histamine H1 Receptor, Guinea Pig 12 0.58 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1000 0.44 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Histamine receptors
Interaction between L1 and Ankyrins
Voltage gated Potassium channels

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