3D model is for representation purpose only.
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XRRRRRRRR | Methotrexate |
Identification | |
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ConjuPepDB ID | cpd00180 |
Smiles | |
Inchi Key | InChIKey=WABNALGTJNHYGC-NVAZTIMOSA-N |
Molecular weight | 1702.98 |
Molecular formula | C68H118N40O13 |
Chemical name | Peptide information |
Sequence (one letter) | XRRRRRRRR |
Length | 9 |
Peptide name | poliargine (R8) |
External ID | |
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CAS number | 1899964-31-8 |
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 | -12.00767 |
Rotatable bonds | 57 |
H bond donor | 29 |
H bond acceptor | 44 |
Polar surface area (PSA) | 958.54000 |
Citations | |||||
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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 |