Common name
N,N-dimethylpropan-1-amine
IUPAC name
N,N-dimethylpropan-1-amine
SMILES
N(C)(C)CCC
Common name
N,N-dimethylpropan-1-amine
IUPAC name
N,N-dimethylpropan-1-amine
SMILES
N(C)(C)CCC
INCHI
InChI=1S/C5H13N/c1-4-5-6(2)3/h4-5H2,1-3H3
FORMULA
C5H13N
Common name
N,N-dimethylpropan-1-amine
IUPAC name
N,N-dimethylpropan-1-amine
Molecular weight
87.163
clogP
0.237
clogS
-1.084
Frequency
0.0113
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
| FDBD00574 | Ibandronate |
|
Bone Density Conservation Agents; Antihypocalcemic Agents; Antiresorptives; Bisphosphonates; Musculo-Skeletal System; Drugs Affecting Bone Structure and Mineralization; Drugs for Treatment of Bone Diseases; | For the treatment and prevention of osteoporosis in postmenopausal women. |
| FDBD00590 | Trimipramine |
|
Adrenergic Uptake Inhibitors; Antidepressive Agents, Tricyclic; Adrenergic alpha-1 Receptor Antagonists; Antidepressive Agents; Nervous System; Antidepressants; Psychoanaleptics; Non-Selective Monoamine Reuptake Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of depression and depression accompanied by anxiety, agitation or sleep disturbance. |
| FDBD00697 | Brompheniramine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Respiratory System; Antihistamines for Systemic Use; Substituted Alkylamines; Cytochrome P-450 CYP2C9 Inhibitors; 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); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of the symptoms of the common cold and allergic rhinitis, such as runny nose, itchy eyes, watery eyes, and sneezing. |
| FDBD00796 | Hexafluronium |
|
Neuromuscular Agents; Musculo-Skeletal System; Muscle Relaxants; Muscle Relaxants, Peripherally Acting Agents; | Used as an adjunct with succinylcholine (or suxamethonium chloride) to prolong muscle relaxation and to prevent succinylcholine-induced muscle fasciculations. |
| FDBD00963 | Chlorphenamine |
|
Anti-Allergic Agents; Antipruritics; Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Substituted Alkylamines; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of rhinitis, urticaria, allergy, common cold, asthma and hay fever. |
| FDBD01021 | Escitalopram |
|
Antidepressive Agents, Second-Generation; Serotonin Uptake Inhibitors; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Labeled indications include major depressive disorder (MDD) and generalized anxiety disorder (GAD). Unlabeled indications include treatment of mild dementia-associated agitation in nonpsychotic patients. |
| FDBD01086 | Clomipramine |
|
May be used to treat obsessive-compulsive disorder and disorders with an obsessive-compulsive component (e.g. depression, schizophrenia, Tourette's disorder). | |
| FDBD01090 | Alimemazine |
|
Antipruritics; Respiratory System; Antihistamines for Systemic Use; Phenothiazine Derivatives; CYP3A4 Inhibitors; | Used to prevent and relieve allergic conditions which cause pruritus (itching) and urticaria (some allergic skin reactions). |
| FDBD01181 | Methotrimeprazine |
|
Antipsychotic Agents; Analgesics, Non-Narcotic; Adrenergic alpha-1 Receptor Antagonists; Dopamine Antagonists; Nervous System; Psycholeptics; Phenothiazines With Aliphatic Side-Chain; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For the treatment of psychosis, particular those of schizophrenia, and manic phases of bipolar disorder. |
33 ,
4
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bgk_ligand_3_3.mol2 | 4bgk | 1 | -6.34 | [N+](C)(C)(C)CCC | 7 |
| 4fmu_ligand_2_22.mol2 | 4fmu | 1 | -6.21 | C[NH2+]CCC | 5 |
| 1pot_ligand_3_10.mol2 | 1pot | 1 | -6.20 | C(C[NH2+]C)C | 5 |
| 3fhe_ligand_4_121.mol2 | 3fhe | 1 | -5.98 | C[NH+](CCC)C | 6 |
| 4fmu_ligand_3_22.mol2 | 4fmu | 1 | -5.98 | C([NH2+]C)CC | 5 |
| 1p0y_ligand_2_5.mol2 | 1p0y | 1 | -5.96 | C([NH2+]C)CC | 5 |
| 3k26_ligand_3_85.mol2 | 3k26 | 1 | -5.95 | C([N+](C)(C)C)CC | 7 |
| 3iiw_ligand_3_781.mol2 | 3iiw | 1 | -5.94 | C([N+](C)(C)C)CC | 7 |
| 3jzg_ligand_3_550.mol2 | 3jzg | 1 | -5.94 | CCC[N+](C)(C)C | 7 |
211 ,
22
