Responsive image

Common name

2-(dimethylamino)ethanol

IUPAC name

2-(dimethylamino)ethanol

SMILES

CN(CCO)C

Common name

2-(dimethylamino)ethanol

IUPAC name

2-(dimethylamino)ethanol

SMILES

CN(CCO)C

INCHI

InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3

FORMULA

C4H11NO

Responsive image

Common name

2-(dimethylamino)ethanol

IUPAC name

2-(dimethylamino)ethanol





Molecular weight

89.136

clogP

-0.636

clogS

-0.126

Frequency

0.0045





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

23.47

Number of Rings

0

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00092 Dofetilide Responsive image Anti-Arrhythmia Agents; Potassium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; CYP3A4 Inhibitors; For the maintenance of normal sinus rhythm (delay in time to recurrence of atrial fibrillation/atrial flutter [AF/AFl]) in patients with atrial fibrillation/atrial flutter of greater than one week duration who have been converted to normal sinus rhythm.
FDBD00249 Doxylamine Responsive image Histamine H1 Antagonists; Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; Used alone as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief drug. Also used in combination with Vitamin B6 (pyridoxine) to prevent morning sickness in pregnant women.
FDBD00406 Toremifene Responsive image Antineoplastic Agents, Hormonal; Bone Density Conservation Agents; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Anti-Estrogens; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; For the treatment of metastatic breast cancer in postmenopausal women with estrogen receptor-positive or receptor-unknown tumors. Toremifene is currently under investigation as a preventative agent for prostate cancer in men with high-grade prostatic intraepithelial neoplasia and no evidence of prostate cancer.
FDBD00527 Trimethobenzamide Responsive image Antiemetics; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; For the treatment of postoperative nausea and vomiting and for nausea associated with gastroenteritis.
FDBD00540 Tamoxifen Responsive image Antineoplastic Agents, Hormonal; Bone Density Conservation Agents; Estrogen Antagonists; Selective Estrogen Receptor Modulators; Antineoplastic and Immunomodulating Agents; Endocrine Therapy; Hormone Antagonists and Related Agents; Anti-Estrogens; 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; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; BSEP/ABCB11 Inhibitors; Combined Inducers of CYP3A4 and P-glycoprotein; Combined Inhibitors of CYP3A4 and P-glycoprotein; Tamoxifen is indicated for the treatment of metastatic breast cancer in women and men and ductal carcinoma in Situ.
FDBD00612 Carbinoxamine Responsive image Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; 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; 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; For symptomatic relief of seasonal and perennial allergic rhinitis and vasomotor rhinitis, as well as allergic conjunctivitis caused by foods and inhaled allergens. Also for the relief of allergic reactions to blood or plasma, and the symptomatic management of mild, uncomplicated allergic skin manifestations of urticaria and angioedema.
FDBD00839 Dimenhydrinate Responsive image Histamine H1 Antagonists; Antiemetics; Used for treating vertigo, motion sickness, and nausea associated with pregnancy.
FDBD00926 Diphenhydramine Responsive image Anti-Allergic Agents; Hypnotics and Sedatives; Anesthetics, Local; Histamine H1 Antagonists; Antitussive Agents; Antiemetics; Antidyskinetics; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Aminoalkyl Ethers; Antihistamines for Systemic Use; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Sleep Aids, Pharmaceutical; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong);
FDBD01019 Orphenadrine Responsive image Antiparkinson Agents; Muscarinic Antagonists; Parasympatholytics; Muscle Relaxants, Central; Antidyskinetics; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Nervous System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Anti-Parkinson Drugs; Anticholinergics; Ethers Chemically Close to Antihistamines; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Indicated for the treatment of Parkinson's disease.
FDBD01081 Bromodiphenhydramine Responsive image Histamine Antagonists; Respiratory System; Aminoalkyl Ethers; Antihistamines for Systemic Use; For management of symptoms related to hay fever and other types of allergy and used to help bring up phlegm, thin secretions, and make a cough productive.
13 , 2
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2reg_ligand.mol2 2reg 1 -6.35 C(C[N+](C)(C)C)O 8
2ha3_ligand.mol2 2ha3 1 -5.88 C(C[N+](C)(C)C)O 8
3feg_ligand_4_121.mol2 3feg 1 -5.69 OCC[N+](C)(C)C 7
3c2u_ligand_2_18.mol2 3c2u 1 -5.65 C([NH2+]C)CO 5
130 , 14