Common name
N,N,4-trimethylaniline
IUPAC name
N,N,4-trimethylaniline
SMILES
CN(C)c1ccc(cc1)C
Common name
N,N,4-trimethylaniline
IUPAC name
N,N,4-trimethylaniline
SMILES
CN(C)c1ccc(cc1)C
INCHI
InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
FORMULA
C9H13N
Common name
N,N,4-trimethylaniline
IUPAC name
N,N,4-trimethylaniline
Molecular weight
135.206
clogP
1.867
clogS
-2.258
Frequency
0.0014
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00178 | Chlorambucil |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues; | For treatment of chronic lymphatic (lymphocytic) leukemia, childhood minimal-change nephrotic syndrome, and malignant lymphomas including lymphosarcoma, giant follicular lymphoma, Hodgkin's disease, non-Hodgkin's lymphomas, and Waldenström's Macroglobulinemia. |
| FDBD00286 | Gentian Violet |
|
Anti-Infective Agents, Local; | For the treatment of bacterial and fungal infections inside the mouth (thrush) and skin, also for the prevention of transmission of Chagas' disease (as a blood additive). |
| FDBD00894 | Melphalan |
|
Antineoplastic Agents; Immunosuppressive Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Myeloablative Agonists; Antineoplastic and Immunomodulating Agents; Nitrogen Mustard Analogues; | For the palliative treatment of multiple myeloma and for the palliation of non-resectable epithelial carcinoma of the ovary. Has also been used alone or as part of various chemotherapeutic regimens as an adjunct to surgery in the treatment of breast cancer, alone or in combination regimens for palliative treatment of locally recurrent or unresectable in-transit metastatic melanoma of the extremities, as well as for the treatment of amyloidosis with prednisone. |
| FDBD01164 | Quinupristin |
|
Anti-Bacterial Agents; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Streptogramins; CYP3A4 Inhibitors; | For the treatment of bacterial infections (usually in combination with dalfopristin). |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k3h_ligand_2_5.mol2 | 4k3h | 1 | -7.28 | c1(ccc(cc1)N(C)C)C | 10 |
| 4k3h_ligand_2_8.mol2 | 4k3h | 1 | -7.25 | c1(ccc(cc1)N(C)C)C | 10 |
| 4hj2_ligand_4_2346.mol2 | 4hj2 | 1 | -6.68 | CN(C)c1ccc(cc1)C | 10 |
| 1lpg_ligand_2_22.mol2 | 1lpg | 1 | -6.63 | Cc1ccc(cc1)[N](C)(C)C | 11 |
| 4hj2_ligand_3_651.mol2 | 4hj2 | 1 | -6.62 | CNc1ccc(cc1)C | 9 |
| 4hj2_ligand_3_661.mol2 | 4hj2 | 1 | -6.59 | CNc1ccc(cc1)C | 9 |
| 3btc_ligand_2_8.mol2 | 3btc | 1 | -6.58 | N(C)(C)c1ccc(C)cc1 | 10 |
100 ,
11
