Common name
N-benzylethanamine
IUPAC name
N-benzylethanamine
SMILES
N(CC)Cc1ccccc1
Common name
N-benzylethanamine
IUPAC name
N-benzylethanamine
SMILES
N(CC)Cc1ccccc1
INCHI
InChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
FORMULA
C9H13N
Common name
N-benzylethanamine
IUPAC name
N-benzylethanamine
Molecular weight
135.206
clogP
2.180
clogS
-2.856
Frequency
0.0024
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00654 | Tripelennamine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Ethylene Diamines; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Used for the symptomatic relief of hypersensitivity reactions, coughs, and the common cold. |
| FDBD00782 | Phenoxybenzamine |
|
Antihypertensive Agents; Vasodilator Agents; Adrenergic alpha-1 Receptor Antagonists; Adrenergic alpha-Antagonists; Cardiovascular System; Peripheral Vasodilators; CYP3A4 Inhibitors; | For the treatment of phaeochromocytoma (malignant), benign prostatic hypertrophy and malignant essential hypertension. |
| FDBD01088 | Bepridil |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Calcium Channel Blockers; Cardiovascular System; Phenylalkylamine Derivatives; Non-Selective Calcium Channel Blockers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of hypertension, and chronic stable angina (classic effort-associated angina). |
| FDBD01422 | Panobinostat |
|
Antineoplastic Agents; Immunosuppressive Agents; Histone Deacetylase Inhibitors; Antineoplastic and Immunomodulating Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Panobinostat is indicated in the treatment of multiple myeloma in combination with dexamethasone and bortezomib in patients who have received 2 previous treatment regimens including bortezomib and an immunomodulatory agent. This indication is approved by accelerated approval based on progression free survival as of February 23,2015 |
| FDBD01433 | Mepyramine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Ethylene Diamines; Sleep Aids, Pharmaceutical; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Mepyramine is a first generation antihistamine used in treating allergies, ymptomatic relief of hypersensitivity reaction, and in pruritic skin disorders. |
| FDBD01759 | Efonidipine |
|
; | For the treatment of hypertension. |
| FDBD01878 | alanycarb |
|
Insecticide | Insecticide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q9y_ligand.mol2 | 2q9y | 1 | -7.86 | [N+](Cc1ccccc1)(CC)(CC)CC | 15 |
| 2q9y_ligand_3_4.mol2 | 2q9y | 1 | -6.87 | c1(ccccc1)C[NH2+]CC | 10 |
| 2q9y_ligand_3_2.mol2 | 2q9y | 1 | -6.82 | c1(ccccc1)C[NH2+]CC | 10 |
| 2q9y_ligand_3_5.mol2 | 2q9y | 1 | -6.82 | c1(ccccc1)C[NH2+]CC | 10 |
| 4mw9_ligand_3_16.mol2 | 4mw9 | 1 | -6.64 | c1(ccccc1)C[NH2+]CC | 10 |
| 3gc4_ligand_3_6.mol2 | 3gc4 | 1 | -6.52 | C([NH2+]CC)c1ccccc1 | 10 |
| 2xye_ligand_4_1703.mol2 | 2xye | 1 | -6.25 | CC[NH2+]Cc1ccccc1 | 10 |
| 2xyf_ligand_4_1695.mol2 | 2xyf | 1 | -6.23 | [NH2+](CC)Cc1ccccc1 | 10 |
152 ,
16
