UCSF

ZINC20621755

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 29 Yes

Popular Name: Mosapride citrate Mosapride citrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 112885-41-3 , 112885-42-4 , 156925-25-6 , 636582-62-2 , [112885-41-3] , [112885-42-4] , [156925-25-6] , [636582-62-2]

Other Names:

(+-)-4-Amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide citrate; 4-amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide; AS 4370; AS-4370; Benzamide, 4-amino-5-chloro-2-ethoxy-N-((4-((4-fluorophenyl)me

(+-)-4-Amino-5-chloro-2-ethoxy-N-((4-(p-fluorobenzyl)-2-morpholinyl)methyl)benzamide; (- )-4-Amino-5-chloro-2-ethoxy-N-((4-(p-fluorobenzyl)-2-morpholinyl)methyl)-benzamide; LS-25426; Mosapride; Mosapride [INN]

pride

112885-41-3; D08236; Mosapride (INN); Mosart (TN)

4 ¨CAmino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide

4-Amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide

4-Amino-5-chloro-2-ethoxy-N-{[4-(4-fluorobenzyl)-2-morpholinyl]methyl}benzamide 2-hydroxy-1,2,3-propanetricarboxylate hydrate (1:1:2)

4-amino-5-chloro-2-ethoxy-N-{[4-(4-fluorobenzyl)morpholin-2-yl]methyl}benzamide

636582-62-2; AS 4370; C13494; Mosapride citrate hydrate

636582-62-2; D01994; Gasmotin (TN); Mosapride citrate dihydrate; Mosapride citrate hydrate (JP16)

AMINOCHLOROETHOXYFLUOROBENZYLMORPHOLINYLMETHYLBENZAMID

AS-4370

CP-94,253

CPD000469200; MOSAPRIDE CITRATE

CPD000469200; MOSAPRIDE CITRATE; SAM001246713

DNC000477

DNC000959

Gasmotin

LS-25427

MFCD00867430

MFCD00874415

MFCD01666680

Mosapride

Mosapride (citrate)

Mosapride (INN)

Mosapride citrate dihydrate

Mosapride citrate salt dihydrate

Mosapride citrate salt hydrate

Mosapride citrate salt hydrate, 98%+

Mosapridecitrate

Mosapridecitratedihydrate

NA

QA-0216

TAK-370

TAK-370, AS-4370, Gasmot

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) 3.55 5.78 -14.02 3 6 0 77 421.9 7 ↓

Vendor Notes

Note Type Comments Provided By
Target 5-HT Receptor Selleck Chemicals
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Purity BP APIChem
Indications Irritable Bowel Syndrome, constipation KeyOrganics Bioactives
Warnings IRRITANT Matrix Scientific
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP066435m; 1 citric acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP066435m; SALT: 1 citric acid NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT3A-1-E Serotonin 3a (5-HT3a) Receptor (cluster #1 Of 5), Eukaryotic Eukaryotes 1189 0.29 Binding ≤ 10μM
5HT3B-1-E Serotonin 3b (5-HT3b) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1189 0.29 Binding ≤ 10μM
5HT4R-1-E Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 84 0.34 Binding ≤ 10μM
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 4800 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT4R_HUMAN Q13639 Serotonin 4 (5-HT4) Receptor, Human 113 0.34 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 4786.30092 0.26 Binding ≤ 10μM
5HT3A_RAT P35563 Serotonin 3a (5-HT3a) Receptor, Rat 1189 0.29 Binding ≤ 10μM
5HT3B_RAT Q9JJ16 Serotonin 3b (5-HT3b) Receptor, Rat 1189 0.29 Binding ≤ 10μM
5HT4R_HUMAN Q13639 Serotonin 4 (5-HT4) Receptor, Human 113 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (s) signalling events
Serotonin receptors
Voltage gated Potassium channels

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