MetaADEDB 2.0 @ LMMD
Gliotoxin
(FIVPIPIDMRVLAY-RBJBARPLSA-N)
Structure
SMILES
OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C
Molecular Formula:
C13H14N2O4S2
Molecular Weight:
326.391
Log P:
-0.4279
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
2
TPSA:
131.68
CAS Number(s):
67-99-2
Synonym(s)
1.
Gliotoxin
2.
Aspergillin
3.
Gliotoxins
External Link(s)
MeSHD005912
PubChem Compound6223
BindingDB50134315
ChEBI5385
CHEMBLCHEMBL331627
KEGGcpd:C10595
Therapeutic Target DatabaseD0N1XD
ZINC3875454
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Chemical and Drug Induced Liver Injury19739265CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120262

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.