Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

33661 - Overview - Compound Synopsis

Synonyms
AMETHOPTERINAbitrexate
AmethopterinCL 14377
CL-14377Ebetrex
Emtexate High-PotEmtexate PF
FolexMETHOTREXATE
METHYLAMINOPTERINMTX
MaxtrexMethotrexate
MethylaminopterinMetoject
MexateMexate-AQ
RheumatrexTCMDC-123832
TCMDC-125488TCMDC-125858
TrexallZlatal
methotrexate
Molecular Formula
C20H22N8O5
InChI
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
Smiles
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
Cross References
UniChem647984
canSAR33661
PDBe (Protein Data Bank Europe)MTX
ChEMBLCHEMBL34259
BindingDB18050
BindingDB66082
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 454.1713158040.268471355No


Compound Lineages


Dosed Drug / Tested Compound(s)Free Compound Form(s)Active Form(s)







Dosed Drug / Tested Compound(s)Free Compound Form(s)Active Form(s)