Common name
(2R)-1-(tert-butylamino)propan-2-ol
IUPAC name
(2R)-1-(tert-butylamino)propan-2-ol
SMILES
C(C(O)C)NC(C)(C)C
Common name
(2R)-1-(tert-butylamino)propan-2-ol
IUPAC name
(2R)-1-(tert-butylamino)propan-2-ol
SMILES
C(C(O)C)NC(C)(C)C
INCHI
InChI=1S/C7H17NO/c1-6(9)5-8-7(2,3)4/h6,8-9H,5H2,1-4H3/t6-/m1/s1
FORMULA
C7H17NO
Common name
(2R)-1-(tert-butylamino)propan-2-ol
IUPAC name
(2R)-1-(tert-butylamino)propan-2-ol
Molecular weight
131.216
clogP
0.527
clogS
-1.371
Frequency
0.0017
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
32.26
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
| 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. |
| 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. |
| FDBD01525 | Bupranolol |
|
Antihypertensive Agents; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Cardiovascular System; Beta Blocking Agents; Beta Blocking Agents, Non-Selective; | Used to manage hypertension and tachycardia. Also used to treat glaucoma. |
5 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vie_ligand_4_573.mol2 | 2vie | 1 | -6.86 | [C@H](O)(C)C[NH2+]C(C)(C)C | 9 |
| 1dy4_ligand_3_9.mol2 | 1dy4 | 1 | -6.81 | C[C@@H](O)C[NH2+]C(C)C | 8 |
| 2vie_ligand_3_157.mol2 | 2vie | 1 | -6.48 | C(C)(C)[NH2+]C[C@@H](O)C | 8 |
| 1h46_ligand_3_9.mol2 | 1h46 | 1 | -6.47 | [C@H](O)(C)C[NH2+]C(C)C | 8 |
| 2xfk_ligand_3_256.mol2 | 2xfk | 1 | -6.24 | C(C)[NH2+]C[C@@H](O)C | 7 |
| 2viy_ligand_3_157.mol2 | 2viy | 1 | -6.23 | C([NH2+]CC)[C@@H](O)C | 7 |
| 2xfi_ligand_3_45.mol2 | 2xfi | 1 | -6.23 | C([NH2+]CC)[C@H](C)O | 7 |
| 4ya8_ligand_3_357.mol2 | 4ya8 | 1 | -6.23 | C[C@@H](O)C[NH2+]C(C)C | 8 |
| 2viz_ligand_3_236.mol2 | 2viz | 1 | -6.21 | C[C@H](O)C[NH2+]CC | 7 |
| 2vj6_ligand_3_190.mol2 | 2vj6 | 1 | -6.21 | C[C@H](O)C[NH2+]CC | 7 |
151 ,
16
