Common name
N,N-dimethyl-2-phenyl-ethanamine
IUPAC name
N,N-dimethyl-2-phenyl-ethanamine
SMILES
C(Cc1ccccc1)N(C)C
Common name
N,N-dimethyl-2-phenyl-ethanamine
IUPAC name
N,N-dimethyl-2-phenyl-ethanamine
SMILES
C(Cc1ccccc1)N(C)C
INCHI
InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
FORMULA
C10H15N
Common name
N,N-dimethyl-2-phenyl-ethanamine
IUPAC name
N,N-dimethyl-2-phenyl-ethanamine
Molecular weight
149.233
clogP
2.078
clogS
-2.541
Frequency
0.0010
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00092 | Dofetilide |
|
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. |
| FDBD00172 | Venlafaxine |
|
Antidepressive Agents, Second-Generation; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Cytochrome P-450 CYP2C9 Inhibitors; Serotonin and Noradrenaline Reuptake 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; | For the management of major depressive disorder (MDD), generalized anxiety disorder (GAD), social anxiety disorder (social phobia), panic disorder with or without agoraphobia, vasomotor symptoms in women with breast cancer and in postmenopausal women, and neuropathic pain. |
| FDBD00526 | Verapamil |
|
Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors and Calcium Channel Blockers; Selective Calcium Channel Blockers With Direct Cardiac Effects; Phenylalkylamine Derivatives; 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; BSEP/ABCB11 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For the treatment of hypertension, angina, and cluster headache prophylaxis. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ipq_ligand_5_1239.mol2 | 3ipq | 1 | -7.21 | C[NH+](C)CCc1ccccc1 | 11 |
| 1pq6_ligand_5_1238.mol2 | 1pq6 | 1 | -7.16 | C(Cc1ccccc1)[NH+](C)C | 11 |
| 3ipq_ligand_4_668.mol2 | 3ipq | 1 | -7.06 | C[NH2+]CCc1ccccc1 | 10 |
| 3ipq_ligand_4_688.mol2 | 3ipq | 1 | -7.06 | C[NH2+]CCc1ccccc1 | 10 |
| 4y2j_ligand_3_2.mol2 | 4y2j | 1 | -7.03 | [NH2+](C)CCc1ccccc1 | 10 |
| 1pq6_ligand_4_667.mol2 | 1pq6 | 1 | -7.02 | C(Cc1ccccc1)[NH2+]C | 10 |
| 1pq6_ligand_4_687.mol2 | 1pq6 | 1 | -7.01 | C(Cc1ccccc1)[NH2+]C | 10 |
| 3ipq_ligand_5_1238.mol2 | 3ipq | 1 | -6.78 | C[NH+](CCc1ccccc1)C | 11 |
| 1pq6_ligand_5_1239.mol2 | 1pq6 | 1 | -6.73 | C(Cc1ccccc1)[NH+](C)C | 11 |
| 3ipq_ligand_4_667.mol2 | 3ipq | 1 | -6.64 | C[NH2+]CCc1ccccc1 | 10 |
132 ,
14
