UCSF

ZINC00057204

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 Yes

Popular Name: Antazoline Phosphate Antazoline Phosphate

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 154-68-7 , 154-68-7, 91-75-8 [antazo , 154-68-7, 91-75-8 [antazoline] , 2508-72-7 , 91-75-8

Other Names:

azoline

154-68-7

1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-

1H-imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-, hydrochloride

1H-imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-, monohydrochloride

2-(N-Benzylanilino)methyl-2-imidazoline, hydrochloride; 2-(N-Benzylanilinomethyl)-2-imidazoline hydrochloride; 2-(N-Phenyl-N-benzylaminomethyl)imidazoline hydrochloride; 2-Imidazoline, 2-((N-benzylanilino)methyl)-, hydrochloride; 2-Imidazoline, 2-((N-benz

2508-72-7; Antazoline hydrochloride; D07459; Phenazolinum (TN)

2508-72-7; Antazoline hydrochloride; Prestwick_82

353

7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with 4,5-dihydro-N-phenyl-N-(phenylmethyl)-1H-imidazole-2-methanamine (1:1); Antazoline 7-theophyllineacetate; LS-126438; Theophylline 7 acetate d'antazoline [French]

91-75-8 (Parent)

A3766_FLUKA

A3766_SIGMA

AC-20134

AC1L4KMX

Antastan

Antasten

Antazoline

Antazoline (BAN

Antazoline (hydrochloride)

Antazoline HCl

Antazoline hydrochloride

Antazoline phosphate (USP)

Antazoline phosphate salt

ANTAZOLINE PHOSPHATE; NAPHAZOLINE HYDROCHLORIDE; C17H19N3.C14H14N2.HCl.H3O4P; LS-178461; VASOCON-A

antazolinehydrochloride

Antihistal

Antistin

ANTISTINE PHOSPHATE

benzyl(4,5-dihydro-1H-imidazol-2-ylmethyl)phenylamine hydrochloride

BRD-K99300445-011-02-9

CHEMBL1200550

CID158798

D02950

DAP001373

EINECS 205-831-4

Histostab

HMS1920E05

HMS2091K05

HMS500E05

INN); Antazoline HCl (MI

INN); Antazoline Phosphate (FDA

MFCD00047013

MFCD00054317

MFCD00058145

MLS000028623

MLS001148180

MolPort-003-666-124

N-Benzyl-4,5-dihydro-N-phenyl-1H-imidazole-2-methylamine monophosphate

N-Benzyl-N-((4,5-dihydro-1H-imidazol-2-yl)methyl)aniline

N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline hydrochloride

N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline; phosphoric acid

N/A

NCGC00094590-01

NCGC00094590-02

NCGC00094590-03

Phenazolin

Phenazolin;Phenazoline

Phenazoline

phosphoric acid

SMR000058669

SPECTRUM1500126

ST51037133

UNII-VPR5FPH326

USP)

USP); Antazoline Hydrochloride (MI

USP); Antazoline Phosphate (FDA

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) 3.01 8.13 -34.89 2 3 1 29 266.368 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.077 Bitter DB
ALOGPS_SOLUBILITY 1.14e-01 g/l DrugBank-approved
MP 238 TCI
Purity 95% Fluorochem
Purity 99.0%~101.0% APIChem
Therapy antihistaminic SMDC Iconix
Target Histamine Receptor Selleck Chemicals
Target Others Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-7-O Plasmodium Falciparum (cluster #7 Of 22), Other Other 3162 0.39 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 1260 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1995.26231 0.40 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 1260 0.41 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.