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

CHEMBL466033

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
NC(=O)c1cc(CCCCC(=O)Nc2nc(-c3ccccc3)cs2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466033
Phase Preclinical
Structure Type MOL
InChI Key OYRVTVITQRVZID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.25
ALogP
6
HBA
2
HBD
111.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O3S
MW 370.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
19419863 10.1016/j.bmcl.2009.04.058 NON-PROTEIN TARGET 2
19419863 10.1016/j.bmcl.2009.04.058 Histone deacetylase 1 1
19419863 10.1016/j.bmcl.2009.04.058 Histone deacetylase 3 1
19419863 10.1016/j.bmcl.2009.04.058 Histone deacetylase 6 1
19419863 10.1016/j.bmcl.2009.04.058 Histone deacetylase 2 1
19419863 10.1016/j.bmcl.2009.04.058 Polyamine deacetylase HDAC10 1
19419863 10.1016/j.bmcl.2009.04.058 BXPC-3 1
19419863 10.1016/j.bmcl.2009.04.058 HuP-T3 1
19419863 10.1016/j.bmcl.2009.04.058 MIA PaCa-2 1

Data from ChEMBL 36 via Core Engine