UCSF

ZINC00119717

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 Yes

Other Names:

"Naphazoline hydrochloride, 99%"

azoline

1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-

1H-Imidazole, 4,5-dihydro-2-(1-naphthalenylmethyl)-, mononitrate; 2-Imidazoline, 2-(1-naphthylmethyl)-, mononitrate; Benil; Clera; EINECS 225-915-4; Imidazyl; Imizol; LS-79668; Minha; Naftizin; Naphazoline nitrate; Naphcon; Naphthisen; Naphthizen; Naphtyz

2-(1-Naphthylmethyl)-2-imidazoline

2-(1-Naphthylmethyl)-2-imidazoline hydrochloride

2-(1-Naphthylmethyl)-2-imidazoline hydrochloride, 99%

2-(1-Naphthylmethyl)-2-imidazoline nitrate

2-(1-Naphthylmethyl)-2-imidazoline nitrate, 99%

2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazole

2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazole hydrochloride

2-(alpha-Naphthylmethyl)-imidazoline

2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole

2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole hydrochloride

2-(Naphthyl-(1')-methyl)imidazolin

2-(Naphthyl-(1')-methyl)imidazolin [German]

2-Imidazoline, 2-(1-naphthylmethyl)-

335

4,5-Dihydro-2-(1-naphthylmethyl)imidazole

5-23-08-00293 (Beilstein Handbook Reference)

5144-52-5; D01021; Naphazoline nitrate (JP16); Privine (TN)

550-99-2 (mono-hydrochloride)

550-99-2; C07898; Naphazoline hydrochloride

550-99-2; Naphazoline hydrochloride; Prestwick_507

835-31-4

835-31-4; D08253; Nafazolin (TN); Naphazoline (INN)

AC1L1I5Y

AK-968/41090774

AKOS000295230

Albalon

ALBALON; C14H14N2.HCl; LS-175633; NAFAZAIR; NAPHAZOLINE HCL; NAPHCON FORTE; Naphazoline Hydrochloride; OPCON; VASOCON

Albalon; CPD000058292; SAM002554916

alpha-Naphthylmethyl imidazoline

Antan

BPBio1_000189

BRD-K77641333-003-05-7

BRN 0151864

BSPBio_000171

BSPBio_002065

C14H14N2

CAS-550-99-2

CHEBI:142468

CHEMBL761

Ciba 2020/R

CID4436

Clearine

CPD000058292; Naphazoline hydrochloride; SAM002554916

D08253

DAP001408

DB06711

DivK1c_000456

EINECS 212-641-5

Enamine_000333

HMS1394P03

HMS2090D15

IDI1_000456

INN); Naphazoline Hydrochloride (FDA

JAN

KBio1_000456

KBio2_001455

KBio2_004023

KBio2_006591

KBio3_001565

KBioGR_000595

KBioSS_001455

L000878

LS-79666

MFCD00012554

MFCD00014316

MFCD00066737

MolPort-001-641-043

Nafazair

Nafazolin

Nafazolin (TN)

Nafazolina

Nafazolina [DCIT]

Nafazoline

Nafazoline [Spanish]

Naphazoline

Naphazoline (BAN

Naphazoline (INN)

Naphazoline hydrochloride (Naphcon)

Naphazoline hydrochloride BP98 USP24

Naphazoline Monohydrochloride

Naphazoline nitrate

Naphazoline [INN:BAN]

Naphazolinum

Naphazolinum [INN-Latin]

Naphazolinum [Latin]

Naphcon forte

Naphcon, Albalon

Naphthazoline hydrochloride

Naphthizine

NCGC00016506-01

NCGC00016506-02

NCGC00024349-03

NINDS_000456

Opcon

Prestwick0_000046

Prestwick1_000046

Prestwick2_000046

Prestwick3_000046

SPBio_001008

SPBio_002092

Spectrum2_001054

Spectrum3_000513

Spectrum4_000068

Spectrum5_001424

Spectrum_000975

STK300042

STOCK1S-50748

UNII-H231GF11BV

USP); Naphazoline Nitrate (JAN)

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) 2.85 6.52 -32.58 2 2 1 26 211.288 2

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.99 Bitter DB
Melting_Point 168-170? Alfa-Aesar
Melting_Point 168-170° Alfa-Aesar
Mp [°C] 254 - 260 Acros Organics
Melting_Point 257-261? Alfa-Aesar
Melting_Point 257-261° Alfa-Aesar
MP 258 TCI
ALOGPS_SOLUBILITY 3.81e-02 g/l DrugBank-approved
Therapy adrenergic agonist, nasal decongestant SMDC Iconix
Target Adrenergic Receptor Selleck Chemicals
H phrase H301: Toxic if swallowed Acros Organics
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : N-7388; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 hydrogen chloride NIH Clinical Collection via PubChem
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
R phrase R24/25: Toxic in contact with skin and if swallowed. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: N-7388; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
Hazard T: Toxic Acros Organics
Purity USP24; BP98 APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA2A-3-E Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 6 0.72 Binding ≤ 10μM
ADA2B-4-E Alpha-2b Adrenergic Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 6 0.72 Binding ≤ 10μM
ADA2C-3-E Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 6 0.72 Binding ≤ 10μM
NISCH-2-E Nischarin (cluster #2 Of 4), Eukaryotic Eukaryotes 122 0.60 Binding ≤ 10μM
Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 410 0.56 Binding ≤ 10μM
Z50425-7-O Plasmodium Falciparum (cluster #7 Of 22), Other Other 10000 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 12 0.69 Binding ≤ 1μM
ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 0.1 0.88 Binding ≤ 1μM
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 4.8 0.73 Binding ≤ 1μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 4.8 0.73 Binding ≤ 1μM
ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 0.1 0.88 Binding ≤ 1μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 4.8 0.73 Binding ≤ 1μM
ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 0.1 0.88 Binding ≤ 1μM
NISCH_HUMAN Q9Y2I1 Nischarin, Human 121.6 0.61 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 12 0.69 Binding ≤ 10μM
ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 0.1 0.88 Binding ≤ 10μM
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 4.8 0.73 Binding ≤ 10μM
ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 0.1 0.88 Binding ≤ 10μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 4.8 0.73 Binding ≤ 10μM
ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 0.1 0.88 Binding ≤ 10μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 4.8 0.73 Binding ≤ 10μM
NISCH_HUMAN Q9Y2I1 Nischarin, Human 121.6 0.61 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.44 Functional ≤ 10μM

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

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