| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 28 | Yes |
Popular Name: Alfuzosin Hydrochloride Alfuzosin Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1346746-88-0 , 81403-68-1 , 81403-80-7 , [81403-68-1]
81403-68-1; Alfuzosin hydrochloride (JAN/USAN); D01692; Uroxatral (TN)
81403-80-7; Alfuzosin (INN); D07124; Xatral (TN)
Alfuzosin hydrochloride (Uroxatral)
alfuzosin; alfuzosina; alfuzosine; alfuzosinum
ALFUZOSIN; CPD000466340; SAM001246638
| 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) | 1.48 | 7.12 | -39.31 | 4 | 9 | 1 | 113 | 390.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.48 | 6.8 | -19.57 | 3 | 9 | 0 | 112 | 389.456 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.82e-01 g/l | DrugBank-approved |
| Target | Adrenergic Receptor | Selleck Chemicals |
| mechanism | alpha 1-Adrenoceptor antagonist | IBScreen Bioactives |
| Therapy | alpha(1)-adrenergic blocker | SMDC Pharmakon |
| biological_use | Antihypertensive agent | IBScreen Bioactives IBScreen Bioactives |
| Indications | benign prostatic hyperplasia | KeyOrganics Bioactives |
| Patent Database Links | EP1541175; EP1785144; US2002115655; US2007190140; WO2006030449; WO2006090268; WO2008114272 | ChEBI |
| Patent Database Links | EP1637129; EP1736151; EP1988098; US2002061879; US2002143007; US2005065161; US2005070552; US2005187222; US2007190023; US2007190140; US2007207222; US2007270436; WO2005018635; WO2006030449; WO2006090268; WO2007087367; WO2007100902; WO2007103687; WO2007113243 | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP04165a | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP04165a | NIH Clinical Collection via PubChem |
| biological_use | Used in the treatment of benign prostatic hypertrophy | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A-1-E | Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.43 | Binding ≤ 10μM |
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 8.2 | 0.40 | Binding ≤ 1μM |
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 23 | 0.38 | Binding ≤ 1μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 12 | 0.40 | Binding ≤ 1μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 3.6 | 0.42 | Binding ≤ 1μM |
| ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 3.5 | 0.42 | Binding ≤ 1μM |
| ADA1A_BOVIN | P18130 | Alpha-1a Adrenergic Receptor, Bovin | 23 | 0.38 | Binding ≤ 10μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 8.2 | 0.40 | Binding ≤ 10μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 12 | 0.40 | Binding ≤ 10μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 3.6 | 0.42 | Binding ≤ 10μM |
| ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 3.5 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events |
