TRR
2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM
Find entries where: TRR
is present as a standalone ligand in 3 entries
Chemical Component Summary | |
|---|---|
| Name | 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM |
| Identifiers | 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-1-ium-2,4-diamine |
| Formula | C14 H19 N4 O3 |
| Molecular Weight | 291.326 |
| Type | NON-POLYMER |
| Isomeric SMILES | COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N |
| InChI | InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)/p+1 |
| InChIKey | IEDVJHCEMCRBQM-UHFFFAOYSA-O |
Chemical Details | |
|---|---|
| Formal Charge | 1 |
| Atom Count | 40 |
| Chiral Atom Count | 0 |
| Bond Count | 41 |
| Aromatic Bond Count | 12 |
Drug Info: DrugBank
| DrugBank ID | DB03125 |
|---|---|
| Name | 2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium |
| Groups | experimental |
| Synonyms | 2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Dihydrofolate reductase | MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNL... | unknown | |
| Dihydrofolate reductase | MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESF... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 446998, 3382784 |
| CCDC/CSD | TMPHCL01, HEKRUK, PORVAW, CABYIO, CUCSEY10, PORVEA, FUWVAU, CESRUN, KADGAY, LUWHIU, YECNEA, PORTUO, KADFUR, FEVKEZ, LUWHAM, FEVJUO, SEMNAA, FOYPEQ, CURSAL, VADVOM, CUCSEY01, PARWOV, CACBOY, IDILUC, FEVKAV, FEVJOI, RAVQIO, HEGHIL, LUWHOA, PARWUB, HURMUC, HAMYIE, HAGRUD, SMZTMP01, NATHEW, WOYPIJ, TMPFOR01, FEVKID, LUWHEQ, HILPOI, QIKDIX, HURMOW, ULOJOX, ULOXEB, KAXPIM, KAXNIK, KAXPEI, KAXMIJ, KAXMUV, KAXNUW |
| COD | 2200672, 7204596, 7204594, 2021069, 2019912, 2311673, 2202097, 1559518, 2200671, 2200871, 2021070, 2021068, 2006261, 2014408, 7204597, 2204690, 2206479, 2201431, 2012876, 2021072, 7204595, 2200985, 2215493, 2011896, 7204571 |
