Drug Information

Drug General Information
Drug ID
D01HKU
Former ID
DNC007687
Drug Name
Methotrexate gamma-L-proline-hydroxamic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528548]
Structure
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2D MOL

3D MOL
Formula
C25H30N10O6
Canonical SMILES
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CC<br />C(=O)N4CCCC4C(=O)NO)C(=O)O
InChI
1S/C25H30N10O6/c1-34(12-14-11-28-21-19(29-14)20(26)31-25(27)32-21)15-6-4-13(5-7-15)22(37)30-16(24(39)40)8-9-18(36)35-10-2-3-17(35)23(38)33-41/h4-7,11,16-17,41H,2-3,8-10,12H2,1H3,(H,30,37)(H,33,38)(H,39,40)(H4,26,27,28,31,32)/t16-,17-/m0/s1
InChIKey
UYVVHTPVCDOQRA-IRXDYDNUSA-N
PubChem Compound ID
44428667
Target and Pathway
Target(s) MMP-9 Target Info Inhibitor [528548]
72 kDa type IV collagenase Target Info Inhibitor [528548]
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 cancerhsa04670:Leukocyte transendothelial migration
GnRH signaling pathway
Bladder cancer
NetPath Pathway ID Signaling Pathway
TWEAK Signaling Pathway
Leptin Signaling Pathway
TNFalpha Signaling PathwayNetPath_22:Leptin Signaling Pathway
TCR Signaling Pathway
PANTHER Pathway Alzheimer disease-presenilin pathway
Plasminogen activating cascade
CCKR signaling map STP00004:Alzheimer disease-presenilin pathway
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 pathwaylysophospholipid_pathway:LPA receptor mediated events
Angiopoietin receptor Tie2-mediated signaling
Direct p53 effectors
ATF-2 transcription factor network
FOXM1 transcription factor network
Syndecan-2-mediated signaling events
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
Assembly of collagen fibrils and other multimeric structures
EPH-ephrin mediated repulsion of cellsR-HSA-1442490:Collagen degradation
Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)
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 MetalloproteinasesWP2769:Activation of Matrix Metalloproteinases
Matrix Metalloproteinases
References
Ref 528548Bioorg Med Chem. 2007 Feb 1;15(3):1266-74. Epub 2006 Nov 14.Methotrexate gamma-hydroxamate derivatives as potential dual target antitumor drugs.
Ref 528548Bioorg Med Chem. 2007 Feb 1;15(3):1266-74. Epub 2006 Nov 14.Methotrexate gamma-hydroxamate derivatives as potential dual target antitumor drugs.

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