Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL272759

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
OC[C@H]1O[C@@H](n2cnc3c(CCSc4nc5ccccc5s4)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272759
Phase Preclinical
Structure Type MOL
InChI Key SCDARDPGMCPTSL-HALQFCHDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
1.38
ALogP
11
HBA
3
HBD
126.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N5O4S2
MW 445.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
17997319 10.1016/j.bmc.2007.10.063 L1210 1
17997319 10.1016/j.bmc.2007.10.063 HL-60 1
17997319 10.1016/j.bmc.2007.10.063 CCRF-CEM 1
17997319 10.1016/j.bmc.2007.10.063 Hepatitis C virus 1
17997319 10.1016/j.bmc.2007.10.063 ADMET 1

Data from ChEMBL 36 via Core Engine