Details of the Drug

General Information of Drug (ID: DM7DL03)

Drug Name

1-Acetoxy-2-tert-butyldimethylsilyl-oxylycorine

Synonyms

CHEMBL564408; 1-Acetoxy-2-tert-butyldimethylsilyl-oxylycorine; 1-Acetoxy-2-TBS-lycorine; BDBM50293601; (1S,2S,3a1S,12bS)-2-(tert-butyldimethylsilyloxy)-2,3a1,4,5,7,12b-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-1-yl acetate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

443.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C24H33NO5Si
IUPAC Name: [(1S,17S,18S,19S)-17-[tert-butyl(dimethyl)silyl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetate
Canonical SMILES: CC(=O)O[C@@H]1[C@H](C=C2CCN3[C@H]2[C@@H]1C4=CC5=C(C=C4C3)OCO5)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H33NO5Si/c1-14(26)29-23-20(30-31(5,6)24(2,3)4)9-15-7-8-25-12-16-10-18-19(28-13-27-18)11-17(16)21(23)22(15)25/h9-11,20-23H,7-8,12-13H2,1-6H3/t20-,21-,22+,23+/m0/s1
InChIKey: IQOBLYMQXROOIM-MYDTUXCISA-N