Details of the Drug

General Information of Drug (ID: DMCIEQO)

Drug Name
TAD
Synonyms glutathione sodium salt; 34212-83-4; Tad (TN); SCHEMBL680296; AKOS027382818
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 330.32
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 8
Chemical Identifiers
Formula
C10H17N3NaO6S
Canonical SMILES
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N.[Na]
InChI
InChI=1S/C10H17N3O6S.Na/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/t5-,6-;/m0./s1
InChIKey
KJQNSWHBRKOGHW-GEMLJDPKSA-N
Cross-matching ID
PubChem CID
46174090
CAS Number
34212-83-4
TTD ID
D0F5TV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Inosine-5'-monophosphate dehydrogenase 1 (IMPDH1) TTL7C8Q IMDH1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Crystal structure of a ternary complex of Tritrichomonas foetus inosine 5'-monophosphate dehydrogenase: NAD+ orients the active site loop for catalysis. Biochemistry. 2002 Nov 5;41(44):13309-17.