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

CHEMBL3623798

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
COc1ccc(C2=C(c3ccc(NS(C)(=O)=O)cc3)CN3CCCCC3C2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3623798
Phase Preclinical
Structure Type MOL
InChI Key WGHYDSMOLVJFKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
4.24
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O4S
MW 442.58
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.17

Literature References

PubMed DOI Target Context # Activities
26393416 10.1021/acs.jmedchem.5b00764 NON-PROTEIN TARGET 2
26393416 10.1021/acs.jmedchem.5b00764 MDA-MB-231 1
26393416 10.1021/acs.jmedchem.5b00764 PC-3 1
26393416 10.1021/acs.jmedchem.5b00764 CAKI-1 1
26393416 10.1021/acs.jmedchem.5b00764 HCT-116 1
26393416 10.1021/acs.jmedchem.5b00764 A549 1

Data from ChEMBL 36 via Core Engine