Common name
ethylurea
IUPAC name
ethylurea
SMILES
CCNC(=O)N
Common name
ethylurea
IUPAC name
ethylurea
SMILES
CCNC(=O)N
INCHI
InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
FORMULA
C3H8N2O
Common name
ethylurea
IUPAC name
ethylurea
Molecular weight
88.108
clogP
-1.042
clogS
-0.212
Frequency
0.0014
HBond Acceptor
1
HBond Donor
3
Total PolarSurface Area
55.12
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00046 | L-Citrulline |
|
Dietary Supplements; Micronutrients; Supplements; Non-Essential Amino Acids; | Used for nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00401 | Chlormerodrin |
|
Diagnostic Agents; Diuretics, Mercurial; | Previously used as a diuretic. The radiolabeled form has been used as a diagnostic and research tool. |
| FDBD00454 | Lisuride |
|
Antiparkinson Agents; Analgesics; Dopamine Agonists; Serotonin Receptor Agonists; Antidyskinetics; Genito Urinary System and Sex Hormones; Nervous System; Antimigraine Preparations; Ergot Alkaloids; Prolactine Inhibitors; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the management of Parkinson's Disease. |
| FDBD01331 | Celiprolol |
|
Antihypertensive Agents; Sympathomimetics; Adrenergic beta-1 Receptor Antagonists; Anti-Arrhythmia Agents; Vasodilator Agents; Cardiovascular System; Beta Blocking Agents, Selective; Beta Blocking Agents; CYP3A4 Inhibitors; Beta2 Agonists; | Celiprolol is indicated for the management of mild to moderate hypertension and effort-induced angina pectoris. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yix_ligand_1_0.mol2 | 2yix | 1 | -6.13 | CCNC(=O)N | 6 |
| 1zd3_ligand_2_3.mol2 | 1zd3 | 1 | -6.12 | C(C)NC(=O)N | 6 |
| 4lpb_ligand_1_0.mol2 | 4lpb | 1 | -6.07 | C(C)NC(=O)N | 6 |
| 4lp0_ligand_1_0.mol2 | 4lp0 | 1 | -6.04 | C(C)NC(=O)N | 6 |
| 1zd4_ligand_2_5.mol2 | 1zd4 | 1 | -6.03 | NC(=O)NCC | 6 |
| 1zd5_ligand_2_6.mol2 | 1zd5 | 1 | -6.00 | NC(=O)NCC | 6 |
| 3ipu_ligand_2_34.mol2 | 3ipu | 1 | -5.88 | N(C(=O)N)(C)CC | 7 |
| 4uib_ligand_2_1.mol2 | 4uib | 1 | -5.86 | C(NC(=O)N)C | 6 |
1543 ,
155
