Common name
N,N-dimethylmethanamine
IUPAC name
N,N-dimethylmethanamine
SMILES
N(C)(C)C
Common name
N,N-dimethylmethanamine
IUPAC name
N,N-dimethylmethanamine
SMILES
N(C)(C)C
INCHI
InChI=1S/C3H9N/c1-4(2)3/h1-3H3
FORMULA
C3H9N
Common name
N,N-dimethylmethanamine
IUPAC name
N,N-dimethylmethanamine
Molecular weight
59.110
clogP
-0.577
clogS
-0.200
Frequency
0.0371
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00775 | Almotriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of acute migraine headache in adults. |
| FDBD00781 | Cyclobenzaprine |
|
Antidepressive Agents, Tricyclic; Muscle Relaxants, Central; Tranquilizing Agents; Neuromuscular Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For use as an adjunct to rest and physical therapy for relief of muscle spasm associated with acute, painful musculoskeletal conditions. |
| 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. |
| FDBD00799 | Demecarium |
|
Parasympathomimetics; Cholinergic Agents; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; | For the topical treatment of chronic open-angle glaucoma. |
| FDBD00808 | Rizatriptan |
|
Analgesics; Serotonin Antagonists; Serotonin Receptor Agonists; Anti-migraine Agents; Nervous System; Selective Serotonin (5Ht1) Agonists; Antimigraine Preparations; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; | For treatment of acute migraine attacks with or without aura. |
| FDBD00833 | Cyclopentolate |
|
Muscarinic Antagonists; Parasympatholytics; Mydriatics; Ophthalmologicals; Sensory Organs; Anticholinergics; Mydriatics and Cycloplegics; | Used mainly to produce mydriasis and cycloplegia for diagnostic purposes. |
| FDBD00839 | Dimenhydrinate |
|
Histamine H1 Antagonists; Antiemetics; | Used for treating vertigo, motion sickness, and nausea associated with pregnancy. |
| FDBD00873 | Bethanechol |
|
Parasympathomimetics; Muscarinic Agonists; Nervous System; Choline Esters; | For the treatment of acute postoperative and postpartum nonobstructive (functional) urinary retention and for neurogenic atony of the urinary bladder with retention. |
| FDBD00883 | Topotecan |
|
Antineoplastic Agents; Immunosuppressive Agents; Topoisomerase I Inhibitors; Antineoplastic and Immunomodulating Agents; CYP3A4 Inhibitors; | For the treatment of advanced ovarian cancer in patients with disease that has recurred or progressed following therapy with platinum-based regimens. Also used as a second-line therapy for treatment-sensitive small cell lung cancer, as well as in combination with cisplatin for the treatment of stage IV-B, recurrent, or persistent cervical cancer not amenable to curative treatment with surgery and/or radiation therapy. |
| FDBD00908 | Echothiophate |
|
Cholinesterase Inhibitors; Parasympathomimetics; Miotics; | For use in the treatment of subacute or chronic angle-closure glaucoma after iridectomy or where surgery is refused or contraindicated. |
108 ,
11
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2reg_ligand_1_1.mol2 | 2reg | 1 | -5.84 | C[N+](C)(C)C | 5 |
| 2rin_ligand_1_0.mol2 | 2rin | 1 | -5.74 | C[N+](C)(C)C | 5 |
| 4bgk_ligand_1_3.mol2 | 4bgk | 1 | -5.64 | [N+](C)(C)(C)C | 5 |
| 4c5w_ligand_1_0.mol2 | 4c5w | 1 | -5.64 | C[N+](C)(C)C | 5 |
| 1sw2_ligand_frag_0.mol2 | 1sw2 | 1 | -5.63 | [NH+](C)(C)C | 4 |
892 ,
90
