3D model is for representation purpose only.
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XEEEEEGFLGRRRRRRRR | Methotrexate |
Identification | |
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ConjuPepDB ID | cpd00174 |
Smiles | |
Inchi Key | InChIKey=UYPGGWRCLIHLLR-DVQPEGLTSA-N |
Molecular weight | 2722.39 |
Molecular formula | C112H179N49O32 |
Chemical name | Peptide information |
Sequence (one letter) | XEEEEEGFLGRRRRRRRR |
Length | 18 |
Peptide name | poliargine (R8) |
External ID | |
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CAS number | 1899964-37-4 |
Other information | |
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Application | Anticancer therapy, breast cancer (MDA-MB-231 and MCF-7) |
Additional function | Improve cell penetration against resistant tumor cells |
Pharmacological class | anticancer |
Conjugate type | amide |
Linker | no |
Small molecule | Methotrexate |
Small molecule CAS | 59-05-2 |
Small molecule structure | |
Calculated properties | |
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LogP | -16.82919 |
Rotatable bonds | 94 |
H bond donor | 43 |
H bond acceptor | 63 |
Polar surface area (PSA) | 1406.94000 |
Citations | |||||
---|---|---|---|---|---|
ID | Title | Year | Authors | Journal | DOI |
Cell-penetrating conjugates of pentaglutamylated methotrexate as potential anticancer drugs against resistant tumor cells | 2016 | Szabo, Ildiko; Orban, Erika; Schlosser, Gitta; Hudecz, Ferenc; Banoczi, Zoltan | European Journal of Medicinal Chemistry |