Common name
N,2-dimethylpropan-2-amine
IUPAC name
N,2-dimethylpropan-2-amine
SMILES
CNC(C)(C)C
Common name
N,2-dimethylpropan-2-amine
IUPAC name
N,2-dimethylpropan-2-amine
SMILES
CNC(C)(C)C
INCHI
InChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3
FORMULA
C5H13N
Common name
N,2-dimethylpropan-2-amine
IUPAC name
N,2-dimethylpropan-2-amine
Molecular weight
87.163
clogP
0.357
clogS
-1.425
Frequency
0.0058
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00255 | Timolol |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); | In its oral form it is used to treat high blood pressure and prevent heart attacks, and occasionally to prevent migraine headaches. In its opthalmic form it is used to treat open-angle and occasionally secondary glaucoma. |
| FDBD00391 | Carteolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of intraocular hypertension and chronic open-angle glaucoma. |
| FDBD00427 | Tigecycline |
|
Anti-Bacterial Agents; Tetracyclines; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; | For the treatment of infections caused by susceptible strains of the designated microorganisms in the following conditions: Complicated skin and skin structure infections caused by . |
| FDBD00731 | Terbutaline |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Tocolytic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Beta2 Agonists; | For the prevention and reversal of bronchospasm in patients 12 years of age and older with reversible, obstructive airway disease, as well as symptomatic management of reversible bronchospasm associated with bronchitis and emphysema. Also used acute IV and sub-Q therapy in selected women to inhibit uterine contractions in preterm labor (tocolysis) and prolong gestation when beneficial. |
| FDBD00855 | Salbutamol |
|
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Tocolytic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; CYP3A4 Inhibitors; Beta2 Agonists; | For symptomatic relief and prevention of bronchospasm due to bronchial asthma, chronic bronchitis, and other chronic bronchopulmonary disorders such as COPD. |
| FDBD01049 | Nadolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents and Thiazides; Beta Blocking Agents, Non-Selective; Beta Blocking Agents, Non-Selective, and Thiazides; | Used in cardiovascular disease to treat arrhythmias, angina pectoris, and hypertension. |
| FDBD01056 | Levobunolol |
|
Sympatholytics; Adrenergic beta-Antagonists; EENT Preparations; Ophthalmologicals; Sensory Organs; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; | For lowering intraocular pressure (IOP) and may be used in patients with chronic open-angle glaucoma or ocular hypertension. |
| FDBD01118 | Pirbuterol |
|
Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Cardiotonic Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Beta2 Agonists; | For the prevention and reversal of bronchospasm in patients 12 years of age and older with reversible bronchospasm including asthma. |
| FDBD01157 | Penbutolol |
|
Antihypertensive Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | Penbutolol is indicated in the treatment of mild to moderate arterial hypertension. It may be used alone or in combination with other antihypertensive agents, especially thiazide-type diuretics.Penbutolol is contraindicated in patients with cardiogenic shock, sinus bradycardia, second and third degree atrioventricular conduction block, bronchial asthma, and those with known hypersensitivity. |
| FDBD01161 | Mephentermine |
|
Vasoconstrictor Agents; Sympathomimetics; Adrenergic alpha-1 Receptor Agonists; Cardiovascular System; Cardiac Therapy; Adrenergic and Dopaminergic Agents; Cardiac Stimulants Excl. Cardiac Glycosides; | Used to maintain blood pressure in hypotensive states. |
17 ,
2
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bhf_ligand_2_1.mol2 | 4bhf | 1 | -6.47 | [N+](C)(C)(C)C(C)C | 7 |
| 3gkz_ligand_1_0.mol2 | 3gkz | 1 | -6.32 | CC([NH2+]C)C | 5 |
| 4gqp_ligand_1_0.mol2 | 4gqp | 1 | -6.31 | [NH2+](C(C)C)C | 5 |
| 2vie_ligand_2_77.mol2 | 2vie | 1 | -6.27 | C(C)(C)(C)[NH2+]C | 6 |
| 3gm0_ligand_1_0.mol2 | 3gm0 | 1 | -6.23 | C([NH2+]C)(C)C | 5 |
| 4fmu_ligand_3_36.mol2 | 4fmu | 1 | -6.19 | C([NH2+]C)(C)C | 5 |
| 1dy4_ligand_1_4.mol2 | 1dy4 | 1 | -6.14 | C[NH2+]C(C)C | 5 |
620 ,
63
