Drug Information

Drug General Information
Drug ID
DX7VEM
Drug Name
methotrexate gamma-L-phenylalaninehydroxamic acid
Synonyms
Methotrexate Gamma-L-Phenylalaninehydroxamic Acid; CHEMBL396296
Indication Discovery agent Investigative [1587926]
Formula
C29H32N10O6
Canonical SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](Cc4ccccc4)C(=O)NO)C(=O)O
InChI
InChI=1S/C29H32N10O6/c1-39(15-18-14-32-25-23(33-18)24(30)36-29(31)37-25)19-9-7-17(8-10-19)26(41)35-20(28(43)44)11-12-22(40)34-21(27(42)38-45)13-16-5-3-2-4-6-16/h2-10,14,20-21,45H,11-13,15H2,1H3,(H,34,40)(H,35,41)(H,38,42)(H,43,44)(H4,30,31,32,36,37)/t20-,21-/m0/s1
InChIKey
QHQOEZXEZMHMER-SFTDATJTSA-N
Target and Pathway
Target(s) Dihydrofolate reductase Target Info [1587926]
MMP-9 Target Info [1587926]
KEGG Pathway TNF signaling pathway
Leukocyte transendothelial migration
Estrogen signaling pathway
Hepatitis B
Pathways in cancer
Transcriptional misregulation in cancer
Proteoglycans in cancer
MicroRNAs in cancer
Bladder cancer
NetPath Pathway ID Signaling Pathway
TWEAK Signaling Pathway
Leptin Signaling Pathway
TNFalpha Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map ST
Pathway Interaction Database LPA receptor mediated events
Plasma membrane estrogen receptor signaling
Osteopontin-mediated events
Validated transcriptional targets of AP1 family members Fra1 and Fra2
Validated targets of C-MYC transcriptional activation
CXCR4-mediated signaling events
amb2 Integrin signaling
Syndecan-4-mediated signaling events
AP-1 transcription factor network
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Syndecan-1-mediated signaling events
Regulation of nuclear beta catenin signaling and target gene transcription
FGF signaling pathway
PathWhiz Pathway Folate Metabolism
Pterine Biosynthesis
Reactome E2F mediated regulation of DNA replication
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Metabolism of folate and pterines
G1/S-Specific TranscriptionR-HSA-1442490:Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structures
EPH-ephrin mediated repulsion of cells
WikiPathways Endochondral Ossification
IL1 and megakaryotyces in obesity
Mammary gland development pathway - Involution (Stage 4 of 4)
Activation of Matrix Metalloproteinases
Degradation of collagen
Spinal Cord Injury
AGE/RAGE pathway
TWEAK Signaling Pathway
Angiogenesis
Osteopontin Signaling
Matrix Metalloproteinases
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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