Common name
(E)-but-2-ene
IUPAC name
(E)-but-2-ene
SMILES
CC=CC
Common name
(E)-but-2-ene
IUPAC name
(E)-but-2-ene
SMILES
CC=CC
INCHI
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+
FORMULA
C4H8
Common name
(E)-but-2-ene
IUPAC name
(E)-but-2-ene
Molecular weight
56.106
clogP
0.714
clogS
-0.556
Frequency
0.0024
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00005 | Cyclosporine |
|
Antirheumatic Agents; Dermatologic Agents; Immunosuppressive Agents; Antifungal Agents; Enzyme Inhibitors; Antineoplastic and Immunomodulating Agents; Ophthalmologicals; Sensory Organs; Calcineurin Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For treatment of transplant (kidney, liver, and heart) rejection, rheumatoid arthritis, severe psoriasis. |
| FDBD00887 | Cerulenin |
|
Antifungal Agents; Fatty Acid Synthesis Inhibitors; | For use as a biochemical tool, Cerulenin is shown to cause dramatic weight loss in animals. |
| FDBD01007 | Dinoprost Tromethamine |
|
Oxytocics; Abortifacient Agents, Nonsteroidal; Angiography; Stimulants, Uterine; Tromethamine; | Used for aborting second-trimester pregnancy (between the twelfth to eighteenth week of gestation) and in incomplete abortion or for therapeutic abortion in cases of intrauterine fetal death and congenital abnormalities incompatible with life. Also used at low-doses for medically indicated induction of labor at term. Also injected intra-arterially for use as a vasodilator to assist in angiography. |
| FDBD01305 | Oleic Acid |
|
; | |
| FDBD01431 | Ethanolamine Oleate |
|
Sclerosing Solutions; Cardiovascular System; Vasoprotectives; Sclerosing Agents for Local Injection; Antivaricose Therapy; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the treatment of patients with esophageal varices that have recently bled, to prevent rebleeding. |
| FDBD01664 | Idebenone |
|
Nervous System; Psychoanaleptics; Psychostimulants, Agents Used for Adhd and Nootropics; | |
| FDBD01992 | juvenile hormone I |
|
Insecticide | Insecticide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jhq_ligand_3_394.mol2 | 4jhq | 1 | -6.37 | C/C=C/C | 4 |
| 4prg_ligand_2_81.mol2 | 4prg | 1 | -6.34 | C(=C\C)/C | 4 |
| 2chm_ligand_2_35.mol2 | 2chm | 1 | -6.29 | C(=C\C)/C | 4 |
| 3dzt_ligand_2_84.mol2 | 3dzt | 1 | -6.28 | C/C=C\C | 4 |
| 5d1w_ligand_3_66.mol2 | 5d1w | 1 | -6.23 | C(=C\C)/C | 4 |
138 ,
14
