Details of the Drug

General Information of Drug (ID: DM6GSI1)

Drug Name
HBX19818
Synonyms
HBX 19818; 1426944-49-1; CHEMBL2398213; 9-Chloro-5,6,7,8-tetrahydro-N-[3-[methyl(phenylmethyl)amino]propyl]-2-acridinecarboxamide; N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide; N-[3-[benzyl(methyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide; SCHEMBL20007093; BDBM50436150; HBX-19818; NCGC00378705-01; HY-17540; J3.502.626F
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 422
Logarithm of the Partition Coefficient (xlogp) 5.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C25H28ClN3O
IUPAC Name
N-[3-[benzyl(methyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
Canonical SMILES
CN(CCCNC(=O)C1=CC2=C(C=C1)N=C3CCCCC3=C2Cl)CC4=CC=CC=C4
InChI
InChI=1S/C25H28ClN3O/c1-29(17-18-8-3-2-4-9-18)15-7-14-27-25(30)19-12-13-23-21(16-19)24(26)20-10-5-6-11-22(20)28-23/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3,(H,27,30)
InChIKey
ZCALMLVWZSQGGR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73349008
ChEBI ID
CHEMBL2398213
TTD ID
DA0OZ2
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Herpesvirus ubiquitin-specific protease (HAUSP) TTXU3EQ UBP7_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Small-molecule inhibitor of USP7/HAUSP ubiquitin protease stabilizes and activates p53 in cells. Mol Cancer Ther. 2009 Aug;8(8):2286-95.