| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | Yes |
Popular Name: Buflomedil hydrochloride Buflomedil hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 104018-07-7 , 35543-24-9 , 35543-24-9, 55837-25-7(base) , 55837-25-7 , [35543-24-9] , [55837-25-7]
35543-24-9; Botamiral (TN); Buflomedil hydrochloride (JAN); D07548
35543-24-9; Buflomedil hydrochloride; Prestwick_782
4-(1-Pyrrolidinyl)-1-(2,4,6-trimethoxyphenyl)-1-butanone
Buflomedil HCl; Buflomedil hydrochloride; CPD000058803; SAM001246680
Buflomedil hydrochloride, 98.5%+
BUFLOMEDIL HYDROCHLORIDE; CPD000058803; SAM001246680
Buflomedil pyridoxal phosphate
CPD000058803; Buflomedil HCl; 35543-24-9
| 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) | 2.46 | 8.54 | -38.15 | 1 | 5 | 1 | 49 | 308.398 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | APIChem |
| Target | Adrenergic Receptor | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP03422b; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP03422b; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Therapy | vasodilator (peripheral) | SMDC Pharmakon |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP-1-E | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 60 | 0.46 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1290 | 0.37 | Binding ≤ 10μM |
| ERG2-2-F | C-8 Sterol Isomerase (cluster #2 Of 2), Fungal | Fungi | 7150 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 60 | 0.46 | Binding ≤ 1μM |
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 60 | 0.46 | Binding ≤ 10μM |
| ERG2_YEAST | P32352 | C-8 Sterol Isomerase, Yeast | 7150 | 0.33 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 1290 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cholesterol biosynthesis |
No pre-computed analogs available. Try a structural similarity search.