Responsive image

Common name

N-phenethylformamide

IUPAC name

N-phenethylformamide

SMILES

c1(ccccc1)CCNC=O

Common name

N-phenethylformamide

IUPAC name

N-phenethylformamide

SMILES

c1(ccccc1)CCNC=O

INCHI

InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)

FORMULA

C9H11NO

Responsive image

Common name

N-phenethylformamide

IUPAC name

N-phenethylformamide





Molecular weight

149.190

clogP

1.862

clogS

-2.431

Frequency

0.0041





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

29.1

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00057 Aspartame Responsive image Sweetening Agents; Dietary Supplements; Micronutrients; Supplements; Used as a diet supplement and sugar substitute.
FDBD00077 Bortezomib Responsive image 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.
FDBD00376 Ritonavir Responsive image Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A 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); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; Indicated in combination with other antiretroviral agents for the treatment of HIV-infection.
FDBD00870 Glyburide Responsive image Hypoglycemic Agents; Anti-Arrhythmia Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; Indicated as an adjunct to diet to lower the blood glucose in patients with NIDDM whose hyperglycemia cannot be satisfactorily controlled by diet alone.
FDBD00918 Glipizide Responsive image Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; For use as an adjunct to diet for the control of hyperglycemia and its associated symptomatology in patients with non-insulin-dependent diabetes mellitus (NIDDM; type II), formerly known as maturity-onset diabetes, after an adequate trial of dietary therapy has proved unsatisfactory.
FDBD00923 Atazanavir Responsive image Anti-HIV Agents; 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; CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; Used in combination with other antiretroviral agents for the treatment of HIV-1 infection, as well as postexposure prophylaxis of HIV infection in individuals who have had occupational or nonoccupational exposure to potentially infectious body fluids of a person known to be infected with HIV when that exposure represents a substantial risk for HIV transmission.
FDBD01076 Saquinavir Responsive image Protease Inhibitors; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; For the treatment of HIV-1 with advanced immunodeficiency together with antiretroviral nucleoside analogues.
FDBD01117 Glisoxepide Responsive image Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Sulfonylureas; For the treatment of diabetes mellitus type 2.
FDBD01173 Bezafibrate Responsive image Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; Fibrates; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; For the treatment of primary hyperlipidaemia types IIa, IIb, III, IV and V (Fredrickson classification) corresponding to groups I, II and III of the European Atherosclerosis Society guidelines - when diet alone or improvements in lifestyle such as increased exercise or weight reduction do not lead to an adequate response. Also for the treatment of secondary hyperlipidaemias, e.g. severe hypertriglyceridemias, when sufficient improvement does not occur after correction of the underlying disorder (e.g. diabetes mellitus).
FDBD01251 Lopinavir Responsive image Anti-HIV Agents; HIV Protease Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP3A Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 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; Indicated in combination with other antiretroviral agents for the treatment of HIV-infection.
12 , 2
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1mj7_ligand_3_0.mol2 1mj7 1 -7.34 N(C=O)CCc1ccccc1 11
2xfk_ligand_3_203.mol2 2xfk 1 -7.32 C(=O)NCCc1ccccc1 11
2xfi_ligand_3_130.mol2 2xfi 1 -7.27 c1(ccccc1)CCNC=O 11
2viz_ligand_3_167.mol2 2viz 1 -7.25 C(=O)NCCc1ccccc1 11
2vj9_ligand_3_86.mol2 2vj9 1 -7.24 C(CNC=O)c1ccccc1 11
1qf1_ligand_3_113.mol2 1qf1 1 -7.23 c1(ccccc1)CCNC=O 11
2vj6_ligand_3_137.mol2 2vj6 1 -7.23 C(=O)NCCc1ccccc1 11
2xfj_ligand_3_137.mol2 2xfj 1 -7.23 C(Cc1ccccc1)NC=O 11
2viy_ligand_3_90.mol2 2viy 1 -7.22 c1(ccccc1)CCNC=O 11
2vkm_ligand_3_231.mol2 2vkm 1 -7.22 C(=O)NCCc1ccccc1 11
292 , 30