Common name
(E,5R)-5,6-dimethylhept-3-ene
IUPAC name
(E,5R)-5,6-dimethylhept-3-ene
SMILES
C(C)(C)C(C)C=CCC
Common name
(E,5R)-5,6-dimethylhept-3-ene
IUPAC name
(E,5R)-5,6-dimethylhept-3-ene
SMILES
C(C)(C)C(C)C=CCC
INCHI
InChI=1S/C9H18/c1-5-6-7-9(4)8(2)3/h6-9H,5H2,1-4H3/b7-6+/t9-/m0/s1
FORMULA
C9H18
Common name
(E,5R)-5,6-dimethylhept-3-ene
IUPAC name
(E,5R)-5,6-dimethylhept-3-ene
Molecular weight
126.239
clogP
2.588
clogS
-1.979
Frequency
0.0010
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00044 | Ergocalciferol |
|
Bone Density Conservation Agents; Vitamins; Antithyroid Agents; Vitamin D; Antihypocalcemic Agents; Alimentary Tract and Metabolism; Vitamin D and Analogues; CYP3A4 Inhibitors; | For use in the management of hypocalcemia and its clinical manifestations in patients with hypoparathyroidism, as well as for the treatment of familial hypophosphatemia (vitamin D resistant rickets). This drug has also been used in the treatment of nutritional rickets or osteomalacia, vitamin D dependent rickets, rickets or osteomalacia secondary to long-term high dose anticonvulsant therapy, early renal osteodystrophy, osteoporosis (in conjunction with calcium), and hypophosphatemia associated with Fanconi syndrome (with treatment of acidosis). |
| FDBD00921 | Dihydrotachysterol |
|
Bone Density Conservation Agents; Vitamins; Antithyroid Agents; Vitamin D; Antihypocalcemic Agents; Alimentary Tract and Metabolism; Vitamin D and Analogues; | Used for the prevention and treatment of rickets or osteomalacia, and to manage hypocalcemia associated with hypoparathyroidism or pseudohypoparathyroidism. Also used for the treatment of vitamin D dependent rickets, rickets or osteomalacia secondary to long-term high dose anticonvulsant therapy, early renal osteodystrophy, osteoporosis (in conjunction with calcium), and hypophosphatemia associated with Fanconi syndrome (with treatment of acidosis). |
| FDBD01412 | Doxercalciferol |
|
Bone Density Conservation Agents; Vitamins; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Anti-Parathyroid Agents; Calcium Homeostasis; | Doxercalciferol is indicated for the treatment of secondary hyperparathyroidism in patients with chronic kidney disease on dialysis, as well as for the treatment of secondary hyperparathyroidism in patients with Stage 3 or Stage 4 chronic kidney disease. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_6_203.mol2 | 5d1r | 1 | -6.82 | C(=C\CCC)/CC | 7 |
| 1gni_ligand_5_1750.mol2 | 1gni | 1 | -6.78 | CC/C=C\CCC | 7 |
| 4wn5_ligand_5_4636.mol2 | 4wn5 | 1 | -6.78 | C(/C=C\CCC)C | 7 |
| 1gnj_ligand_4_700.mol2 | 1gnj | 1 | -6.76 | CCC/C=C\CC | 7 |
| 4wn5_ligand_5_5461.mol2 | 4wn5 | 1 | -6.75 | C(/C=C\CC)CC | 7 |
| 1gni_ligand_5_1876.mol2 | 1gni | 1 | -6.74 | C(C/C=C\CC)C | 7 |
| 1gnj_ligand_4_220.mol2 | 1gnj | 1 | -6.66 | C(CC)/C=C\CC | 7 |
130 ,
14
