Common name
phenylurea
IUPAC name
phenylurea
SMILES
O=C(N)Nc1ccccc1
Common name
phenylurea
IUPAC name
phenylurea
SMILES
O=C(N)Nc1ccccc1
INCHI
InChI=1S/C7H8N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
FORMULA
C7H8N2O
Common name
phenylurea
IUPAC name
phenylurea
Molecular weight
136.151
clogP
0.197
clogS
-1.251
Frequency
0.0021
HBond Acceptor
1
HBond Donor
3
Total PolarSurface Area
55.12
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00278 | Sorafenib |
|
Antineoplastic Agents; Immunosuppressive Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Sorafenib is indicated for the treatment of unresectable hepatocellular carcinoma and advanced renal cell carcinoma. |
| FDBD01319 | Suramin |
|
Antineoplastic Agents; Antiprotozoal Agents; Antinematodal Agents; Trypanocidal Agents; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; Agents Against Leishmaniasis and Trypanosomiasis; Carbanilides; | For treatment of human sleeping sickness, onchocerciasis and other diseases caused by trypanosomes and worms. |
| 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. |
| FDBD02800 | siduron |
|
Herbicide | Herbicide |
| FDBD02802 | thidiazuron |
|
Herbicide | Herbicide |
| FDBD03236 | pencycuron |
|
Fungicide | Fungicide |
6 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3el8_ligand_1_3.mol2 | 3el8 | 1 | -6.73 | NC(=O)Nc1ccccc1 | 10 |
| 4jbp_ligand_1_9.mol2 | 4jbp | 1 | -6.73 | c1ccc(cc1)NC(=O)N | 10 |
| 4jbo_ligand_1_9.mol2 | 4jbo | 1 | -6.72 | c1ccc(cc1)NC(=O)N | 10 |
| 4ksq_ligand_1_4.mol2 | 4ksq | 1 | -6.71 | c1(ccccc1)NC(=O)N | 10 |
| 2ycf_ligand_1_1.mol2 | 2ycf | 1 | -6.65 | c1ccc(cc1)NC(=O)N | 10 |
| 3el7_ligand_1_4.mol2 | 3el7 | 1 | -6.62 | c1(ccccc1)NC(=O)N | 10 |
| 4wvl_ligand_1_0.mol2 | 4wvl | 1 | -6.62 | O=C(Nc1ccccc1)N | 10 |
| 2ycf_ligand_1_2.mol2 | 2ycf | 1 | -6.61 | c1(ccccc1)NC(=O)N | 10 |
| 3el8_ligand_1_2.mol2 | 3el8 | 1 | -6.59 | c1ccc(cc1)NC(=O)N | 10 |
107 ,
11
