Common name
4-(methylamino)benzamide
IUPAC name
4-(methylamino)benzamide
SMILES
CNc1ccc(cc1)C(=O)N
Common name
4-(methylamino)benzamide
IUPAC name
4-(methylamino)benzamide
SMILES
CNc1ccc(cc1)C(=O)N
INCHI
InChI=1S/C8H10N2O/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)
FORMULA
C8H10N2O
Common name
4-(methylamino)benzamide
IUPAC name
4-(methylamino)benzamide
Molecular weight
150.178
clogP
0.648
clogS
-1.802
Frequency
0.0014
HBond Acceptor
1
HBond Donor
3
Total PolarSurface Area
55.12
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00009 | Tetrahydrofolic acid |
|
Dietary Supplements; Micronutrients; Supplements; | For nutritional supplementation, also for treating dietary shortage or imbalance. |
| FDBD00048 | Folic Acid |
|
Hematinics; Vitamin B Complex; Dietary Supplements; Micronutrients; Iron Preparations; Supplements; Blood and Blood Forming Organs; Antianemic Preparations; Vitamin B12 and Folic Acid; Folic Acid and Derivatives; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | For treatment of folic acid deficiency, megaloblastic anemia and in anemias of nutritional supplements, pregnancy, infancy, or childhood. |
| FDBD00430 | Methotrexate |
|
Antineoplastic Agents; Antirheumatic Agents; Dermatologic Agents; Immunosuppressive Agents; Enzyme Inhibitors; Antimetabolites; Folic Acid Antagonists; Nucleic Acid Synthesis Inhibitors; Antimetabolites, Antineoplastic; Abortifacient Agents, Nonsteroidal; Abortifacient Agents; Antineoplastic and Immunomodulating Agents; Folic Acid Analogues; | Methotrexate is indicated in the treatment of gestational choriocarcinoma, chorioadenoma destruens and hydatidiform mole. In acute lymphocytic leukemia, methotrexate is indicated in the prophylaxis of meningeal leukemia and is used in maintenance therapy in combination with other chemotherapeutic agents. Methotrexate is also indicated in the treatment of meningeal leukemia. Methotrexate is used alone or in combination with other anticancer agents in the treatment of breast cancer, epidermoid cancers of the head and neck, advanced mycosis fungoides (cutaneous T cell lymphoma), and lung cancer, particularly squamous cell and small cell types. Methotrexate is also used in combination with other chemotherapeutic agents in the treatment of advanced stage non-Hodgkin's lymphomas. Methotrexate is indicated in the symptomatic control of severe, recalcitrant, disabling psoriasis. Methotrexate is indicated in the management of selected adults with severe, active rheumatoid arthritis (ACR criteria), or children with active polyarticular-course juvenile rheumatoid arthritis. |
| FDBD00515 | Leucovorin |
|
Vitamin B Complex; Vitamins; Antidotes; Anti-anemic Agents; Antineoplastics, Adjuncts; | For the treatment of osteosarcoma (after high dose methotrexate therapy). Used to diminish the toxicity and counteract the effects of impaired methotrexate elimination and of inadvertent overdosages of folic acid antagonists, and to treat megaloblastic anemias due to folic acid deficiency. Also used in combination with 5-fluorouracil to prolong survival in the palliative treatment of patients with advanced colorectal cancer. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kmz_ligand_3_15.mol2 | 4kmz | 1 | -7.06 | C(=O)(N)c1ccc(NC)cc1 | 11 |
| 4kn0_ligand_3_15.mol2 | 4kn0 | 1 | -7.06 | CN(c1ccc(cc1)C(=O)N)C | 12 |
| 4lrh_ligand_3_15.mol2 | 4lrh | 1 | -7.02 | N(c1ccc(cc1)C(=O)N)C | 11 |
| 4kn1_ligand_3_11.mol2 | 4kn1 | 1 | -6.96 | C(=O)(N)c1ccc(NC)cc1 | 11 |
| 4kn0_ligand_2_11.mol2 | 4kn0 | 1 | -6.95 | c1(ccc(cc1)NC)C(=O)N | 11 |
| 4u0m_ligand_3_130.mol2 | 4u0m | 1 | -6.83 | NC(=O)c1ccc(cc1)NC | 11 |
| 2oym_ligand_2_0.mol2 | 2oym | 1 | -6.82 | N(C)(C)c1ccc(cc1)C(=O)N | 12 |
| 3eig_ligand_3_15.mol2 | 3eig | 1 | -6.82 | CN(C)c1ccc(cc1)C(=O)N | 12 |
| 1dfo_ligand_3_15.mol2 | 1dfo | 1 | -6.79 | N(c1ccc(cc1)C(=O)N)C | 11 |
124 ,
13
