Common name
ethanamine
IUPAC name
ethanamine
SMILES
CCN
Common name
ethanamine
IUPAC name
ethanamine
SMILES
CCN
INCHI
InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3
FORMULA
C2H7N
Common name
ethanamine
IUPAC name
ethanamine
Molecular weight
45.084
clogP
-0.554
clogS
-0.083
Frequency
0.0677
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
26.02
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00113 | Gadodiamide |
|
Contrast Media; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | For intravenous use in MRI to visualize lesions with abnormal vascularity (or those thought to cause abnormalities in the blood-brain barrier) in the brain (intracranial lesions), spine, and associated tissues. |
| FDBD00118 | Pregabalin |
|
Anti-Anxiety Agents; Analgesics; Anticonvulsants; Calcium Channel Blockers; Nervous System; Antiepileptics; | Pregabalin is used for the management of neuropathic pain associated with diabetic peripheral neuropathy or spinal cord injury, and postherpetic neuralgia. It is also used as adjunctive therapy for adult patients with partial onset seizures and management of fibromyalgia. |
| FDBD00144 | Lymecycline |
|
Anti-Bacterial Agents; Antiprotozoal Agents; Tetracyclines; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; | For the treatment of infections and to treat acne. It may also be used to treat urinary tract infections, gum disease, and other bacterial infections such as gonorrhea and chlamydia. Lymecycline is also used commonly as a prophylactic treatment for infection by . |
| FDBD00156 | Ropinirole |
|
Antiparkinson Agents; Dopamine Agonists; Antidyskinetics; Nervous System; Anti-Parkinson Drugs; Dopaminergic Agents; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Alpha2 Agonists; | For the treatment of the signs and symptoms of idiopathic Parkinson's disease. Also used for the treatment of restless legs syndrome. |
| FDBD00159 | Betazole |
|
Gastrointestinal Agents; Histamine Agonists; Diagnostic Agents; Tests for Gastric Secretion; | For use clinically to test gastric secretory function. |
| FDBD00165 | Argatroban |
|
Antithrombins; Platelet Aggregation Inhibitors; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; CYP3A4 Inhibitors; | Argatroban is indicated for prevention and treatment of thrombosis caused by heparin induced thrombocytopenia (HIT). It is also indicated for use in patients with, or at risk for, HIT who are undergoing percutaneous coronary intervention. |
| FDBD00167 | Disopyramide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ia; CYP3A4 Inhibitors; | For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, ventricular pre-excitation and cardiac dysrhythmias. It is a Class Ia antiarrhythmic drug. |
| FDBD00168 | Lidocaine |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Anesthetics, Local; Anesthetics; Respiratory System; Ophthalmologicals; Sensory Organs; Throat Preparations; Dermatologicals; Nervous System; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ib; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Amides; Analgesics and Anesthetics; Otologicals; 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 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); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For production of local or regional anesthesia by infiltration techniques such as percutaneous injection and intravenous regional anesthesia by peripheral nerve block techniques such as brachial plexus and intercostal and by central neural techniques such as lumbar and caudal epidural blocks. |
| FDBD00169 | Pamidronate |
|
Bone Density Conservation Agents; Bisphosphonates; Musculo-Skeletal System; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; | For the treatment of moderate or severe hypercalcemia associated with malignancy. |
| FDBD00177 | Bleomycin |
|
Antineoplastic Agents; Immunosuppressive Agents; Antibiotics, Antineoplastic; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; | For palliative treatment in the management malignant neoplasm (trachea, bronchus, lung), squamous cell carcinoma, and lymphomas. |
197 ,
20
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a99_ligand_1_2.mol2 | 1a99 | 1 | -5.92 | CC[NH3+] | 3 |
| 1pot_ligand_1_5.mol2 | 1pot | 1 | -5.90 | C([NH3+])C | 3 |
| 1i7m_ligand_1_2.mol2 | 1i7m | 1 | -5.88 | CC[NH3+] | 3 |
| 3a5y_ligand_1_0.mol2 | 3a5y | 1 | -5.86 | [NH3+]CC | 3 |
| 2zxg_ligand_frag_1.mol2 | 2zxg | 1 | -5.85 | C([NH3+])C | 3 |
| 3ebh_ligand_1_0.mol2 | 3ebh | 1 | -5.84 | [NH3+]CC | 3 |
| 4q4i_ligand_1_0.mol2 | 4q4i | 1 | -5.83 | [NH3+]CC | 3 |
1149 ,
115
