| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 21 | No |
Popular Name: Phenoxybenzamine hydrochloride Phenoxybenzamine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1188265-52-2 , 59-96-1 , 63-92-3 , 63-92-3, 59-96-1 , 63-92-3, 59-96-1 [phenoxybenzamine] , [63-92-3]
2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane
4-12-00-02204 (Beilstein Handbook Reference)
59-96-1; D08358; Phenoxybenzamine (INN)
63-92-3; C07436; Phenoxybenzamine hydrochloride
63-92-3; CPD000058422; Dibenzyline; SAM002564244
63-92-3; D00507; Dibenzyline (TN); Phenoxybenzamine hydrochloride (USP)
Benzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-
benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine hydrochloride
Benzyl(2-chloroethyl)-(1-methyl-2-phenoxyethyl)amine
Benzylamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-
CPD000058422; Dibenzyline; Phenoxybenzamine hydrochloride; SAM002564244
Fenossibenzamina [Dcit];Fenoxibenzamina [INN-Spanish];Phenoxybenzaminum [INN-Latin]
INN); Phenoxybenzamine HCl (FDA
N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)-benzylamine hydrochloride
N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzenemethanamine
N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine
N-(2-chloroethyl)-N-(phenylmethyl)-1-(phenyloxy)propan-2-amine
N-Benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine
N-Benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine hydrochloride
N-Benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-aminehydrochloride
N-Phenoxyisopropyl-N-benzyl-beta-chloroethylamine
Phenoxybenzamine Hydrochloride (FDA
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.03e-02 g/l | DrugBank-approved |
| MP | 139 | TCI |
| MP | 140 - 144 | Enamine Building Blocks |
| MP | 141 - 143 | Enamine Building Blocks |
| MP | 141...143 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >99% | Fluorochem |
| therap | alpha adrenergic blocker | MicroSource Spectrum |
| Target | Androgen Receptor | Selleck Chemicals |
| PUBCHEM_PATENT_ID | EP0705111A1; EP0723443A1; US3978164; US4018853; US4022204; US4022893; US4042552; US4045547; US4054624; US4123407; US4123408; US4132791; US4162318; US4214108; US4673385; US4832684; US5261876; US5399581; US5513661; US5807574; US5891465; US6009875; US6156312 | IBM Patent Data |
| Indications | hypertension | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : B-2433; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: B-2433; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Therapy | Selective alpha adrenoceptor blocking agent; calmodulin antagonist | SMDC Iconix |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 120 | 0.46 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 120 | 0.46 | Binding ≤ 10μM |
| DRD4-2-E | Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 120 | 0.46 | Binding ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 120 | 0.46 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 2 | 0.58 | Binding ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 2512 | 0.37 | Functional ≤ 10μM |
| DRD2-3-E | Dopamine D2 Receptor (cluster #3 Of 24), Eukaryotic | Eukaryotes | 120 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 1.8 | 0.58 | Binding ≤ 1μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 120 | 0.46 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 120 | 0.46 | Binding ≤ 1μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 120 | 0.46 | Binding ≤ 1μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 120 | 0.46 | Binding ≤ 1μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 120 | 0.46 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 1.8 | 0.58 | Binding ≤ 10μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 120 | 0.46 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 120 | 0.46 | Binding ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 120 | 0.46 | Binding ≤ 10μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 120 | 0.46 | Binding ≤ 10μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 120 | 0.46 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1584.89319 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.