General Information of Drug (ID: DMYSTAD)

Drug Name
ER-37328
Synonyms ER-37328; SCHEMBL6623792; CHEMBL604052
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 411.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C22H22ClN3O3
IUPAC Name
18-[2-(dimethylamino)ethyl]-12,14-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3(8),5,13,15-hexaene-7,17,19-trione;hydrochloride
Canonical SMILES
CN(C)CCC1C(=O)C2=CN=CN3C2=C(C1=O)C4=C3CCC5=C4CC=CC5=O.Cl
InChI
InChI=1S/C22H21N3O3.ClH/c1-24(2)9-8-14-21(27)15-10-23-11-25-16-7-6-12-13(4-3-5-17(12)26)18(16)19(20(15)25)22(14)28;/h3,5,10-11,14H,4,6-9H2,1-2H3;1H
InChIKey
WTKWSQVGFMBOGJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
21849939
TTD ID
D03RQI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA topoisomerase II (TOP2) TT0IHXV TOP2A_HUMAN ; TOP2B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Antitumor activity of ER-37328, a novel carbazole topoisomerase II inhibitor. Mol Cancer Ther. 2002 Jan;1(3):169-75.