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

CHEMBL372986

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
COC(=O)c1[nH]c2cccc(OC)c2c1Sc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL372986
Phase Preclinical
Structure Type MOL
InChI Key IHSOSUKWKRBPAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
4.11
ALogP
4
HBA
1
HBD
51.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO3S
MW 313.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
16451061 10.1021/jm050809s Tubulin 1
16451061 10.1021/jm050809s MCF7 1

Data from ChEMBL 36 via Core Engine