Common name
3-phenylpropanamide
IUPAC name
3-phenylpropanamide
SMILES
C(=O)(N)CCc1ccccc1
Common name
3-phenylpropanamide
IUPAC name
3-phenylpropanamide
SMILES
C(=O)(N)CCc1ccccc1
INCHI
InChI=1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)
FORMULA
C9H11NO
Common name
3-phenylpropanamide
IUPAC name
3-phenylpropanamide
Molecular weight
149.190
clogP
1.640
clogS
-2.020
Frequency
0.0014
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00077 | Bortezomib |
|
Antineoplastic Agents; 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; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For treatment of multiple myeloma in patients who have not been successfully treated with at least two previous therapies. |
| FDBD00100 | Remikiren |
|
Cardiovascular System; Agents Acting on the Renin-Angiotensin System; Renin-Inhibitors; | For the treatment of hypertension and heart failure. |
| FDBD00112 | Indinavir |
|
Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Indinavir is an antiretroviral drug for the treatment of HIV infection. |
| FDBD01402 | Alvimopan |
|
Gastrointestinal Agents; Alimentary Tract and Metabolism; Drugs for Constipation; Peripheral Opioid Receptor Antagonists; | Used to accelerate the time to upper and lower gastrointestinal recovery following partial large or small bowel resection surgery with primary anastomosis. Also investigated for use in the treatment of pain (acute or chronic). |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qpj_ligand_4_313.mol2 | 2qpj | 1 | -7.54 | C(=O)(N)[C@H](Cc1ccccc1)C | 12 |
| 1r1h_ligand_4_56.mol2 | 1r1h | 1 | -7.40 | C[C@@H](Cc1ccccc1)C(=O)N | 12 |
| 1os0_ligand_4_329.mol2 | 1os0 | 1 | -7.28 | [C@H](C)(Cc1ccccc1)C(=O)N | 12 |
| 1r1i_ligand_3_116.mol2 | 1r1i | 1 | -7.24 | C(=O)(N)CCc1ccccc1 | 11 |
| 2qpj_ligand_3_164.mol2 | 2qpj | 1 | -7.22 | C(=O)(N)CCc1ccccc1 | 11 |
| 1qf1_ligand_3_116.mol2 | 1qf1 | 1 | -7.15 | C(=O)(N)CCc1ccccc1 | 11 |
| 4li6_ligand_3_34.mol2 | 4li6 | 1 | -7.14 | C(Cc1ccccc1)C(=O)N | 11 |
| 1qf0_ligand_3_100.mol2 | 1qf0 | 1 | -7.11 | C(Cc1ccccc1)C(=O)N | 11 |
| 1r1h_ligand_3_47.mol2 | 1r1h | 1 | -7.09 | C(Cc1ccccc1)C(=O)N | 11 |
252 ,
26
