UCSF

ZINC19594599

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 17 Yes

Popular Name: Ticlopidine hydrochloride Ticlopidine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 53885-35-1 , 55142-85-3 , 62019-75-4 , [53885-35-1]

Other Names:

4-C-32

4-C-32; 5-(o-Chlorobenzyl)-4,5,6,7-tetrahydrothieno-(3,2-c)pyridine hydrochloride; 5-(o-chlorobenzyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridinium chloride; 5-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrothieno [3,2-c] pyridine hydrochloride; 53-32C; C14H14ClN

4-C-32; 53-32C

5-((2-Chlorophenyl)methyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridine

5-((2-Chlorophenyl)methyl)-4,5,6,7-tetrahydrothieno(3,2-c)pyridine; 53-32C; BRN 1216802; C14H14ClNS; EINECS 259-498-5; LS-152434; PCR 5332; Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((2-chlorophenyl)methyl)-; Thieno(3,2-c)pyridine, 5-((2-chlorophenyl)me

5-(2-Chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

5-(2-Chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride

5-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

53-32C

53885-35-1; D01028; Ticlid (TN); Ticlopidine hydrochloride (JP16/USAN)

53885-35-1; Prestwick_502; Ticlopidine hydrochloride

55142-85-3

55142-85-3; C07140; Ticlopidine

55142-85-3; D08594; Ticlopidin-Puren (TN); Ticlopidine (INN)

AC-15204

AC1L1KFB

Aplaket

BIDD:PXR0169

BPBio1_000191

BRD-K00603606-003-03-4

BRN 1216802

BSPBio_000173

C07140

C14H14ClNS

CAS-53885-35-1

CHEBI:9588

CHEMBL833

CID5472

CPD000048468; SAM001246558

CPD000048468; SAM001246558; Ticlopidine Hydrochloride

CPD000048468; TICLOPIDINE HCl

D08594

DAP000723

DB00208

EINECS 259-498-5

FDA)

HMS2089I18

INN); Ticlopidine HCl (FDA

INN); Ticlopidine HCl (JAN

INN); Ticlopidine Hydrochloride (FDA

Ipaton

JAN

L001108

LS-152434

LS-190054

MFCD00079606

MFCD00661081

MLS001201825

MolPort-002-507-849

N/A

NCGC00016872-01

NCGC00016872-02

NCGC00024361-04

Panaldine

PCR 5332

Prestwick0_000047

Prestwick1_000047

Prestwick2_000047

Prestwick3_000047

SMR000641861

SPBio_002094

STK589340

STOCK5S-54105

Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((2-chlorophenyl)methyl)-

Thieno(3,2-c)pyridine, 5-((2-chlorophenyl)methyl)-4,5,6,7-tetrahydro-

Thieno[3,2-c]pyridine, 5-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-

Ticlid

Ticlid; Ticlodone; Ticlopid; Tiklyd

Ticlodix

Ticlodone

Ticlopidin-Puren

Ticlopidin-Puren (TN)

Ticlopidina

Ticlopidina [INN-Spanish]

ticlopidina; ticlopidine; ticlopidinum

Ticlopidine

Ticlopidine (BAN

Ticlopidine (hydrochloride)

Ticlopidine (INN)

Ticlopidine HCL

Ticlopidine Hydrochloride

Ticlopidine [INN:BAN]

Ticlopidine, HCl

ticlopidinehydrochloride

Ticlopidinum

Ticlopidinum [INN-Latin]

Tiklid

Tiklyd

UNII-OM90ZUW7M1

UNM-0000345023

USAN

USAN)

ZINC19594599

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) 3.64 7.82 -4.17 0 1 0 3 263.793 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.19e-02 g/l DrugBank-approved
Purity BP/EP/JP/CP APIChem
Patent Database Links EP0829482; EP1553091; EP1785144; EP1810693; US2007196504 ChEBI
Patent Database Links EP1555032; EP1679067; EP1719526; EP1741713; EP1757250; EP1839648; EP1894567; EP1939188; EP1977766; EP1992346; US2004106626; US2004106833; US2004254182; US2005038030; US2005085497; US2005119312; US2005124661; US2005124664; US2005137216; US2005143384; US200 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02355t; 1 hydrogen chloride NIH Clinical Collection via PubChem
Target P2 Receptor Selleck Chemicals
Therapy PAF inhibitor SMDC Pharmakon
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02355t; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP2B6-3-E Cytochrome P450 2B6 (cluster #3 Of 4), Eukaryotic Eukaryotes 800 0.50 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CP2B6_HUMAN P20813 Cytochrome P450 2B6, Human 200 0.55 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CYP2E1 reactions
Fatty acids
Xenobiotics

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