MetaADEDB 2.0 @ LMMD
raltitrexed
(IVTVGDXNLFLDRM-HNNXBMFYSA-N)
Structure
SMILES
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(s1)N(Cc1ccc2c(c1)c(=O)[nH]c(n2)C)C
Type(s)
Approved; Investigational
ATC code(s)
L01BA03
Molecular Formula:
C21H22N4O6S
Molecular Weight:
458.488
Log P:
2.3681
Hydrogen Bond Acceptor:
10
Hydrogen Bond Donor:
4
TPSA:
180.93
CAS Number(s):
112887-68-0
Synonym(s)
1.
raltitrexed
2.
D 1694
3.
D-1694
4.
D1694
5.
ICI D1694
6.
ICI-D1694
7.
N-(5-(N-(3,4-dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-methylamino)-2-thenoyl)-L-glutamic acid
8.
Tomudex
9.
ZD 1694
10.
ZD-1694
11.
ZD1694
External Link(s)
MeSHC068874
PubChem Compound135400182
104758
BindingDB50027655
18795
ChEBI5847
CHEMBLCHEMBL225071
DrugBankDB00293
DrugCentral2353
IUPHAR/BPS Guide to PHARMACOLOGY7403
KEGGcpd:C11372
dr:D01064
Therapeutic Target DatabaseD01KKQ
D0V5YQ
ZINC3832372
Adverse Drug Event(s)
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120239

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.