Details of the Drug

General Information of Drug (ID: DMTGN0U)

Drug Name
Genz 644282
Synonyms
GENZ-644282; Genz 644282; genz644282; UNII-717I541I2R; 717I541I2R; 2,3-dimethoxy-12-(2-(methylamino)ethyl)-[1,3]dioxolo[4',5':4,5]benzo[1,2-h]benzo[c][1,6]naphthyridin-13(12H)-one; SCHEMBL241696; CHEMBL191958; EX-A481; AOB87160; BCP20983; ZINC6718458; SAR402674; AKOS030526835; CS-1525; SAR 402674; SAR-402674; HY-16228; Benzo(C)(1,3)benzodioxolo(5,6-H)(1,6)naphthyridin-13(12H)-one, 2,3-dimethoxy-12-(2-(methylamino)ethyl)-; BC600645; DA-42192; GENZ-644282/GENZ644282; FT-0700324; A3434; W-6112; A13206
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 407.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C22H21N3O5
IUPAC Name
16,17-dimethoxy-21-[2-(methylamino)ethyl]-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one
Canonical SMILES
CNCCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC
InChI
InChI=1S/C22H21N3O5/c1-23-4-5-25-21-14-8-19-20(30-11-29-19)9-16(14)24-10-15(21)12-6-17(27-2)18(28-3)7-13(12)22(25)26/h6-10,23H,4-5,11H2,1-3H3
InChIKey
BAORCAMWLWRZQG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10294813
CAS Number
529488-28-6
VARIDT ID
DR01626

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Molecular and cellular pharmacology of the novel noncamptothecin topoisomerase I inhibitor Genz-644282. Mol Cancer Ther. 2011 Aug;10(8):1490-9.