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

CHEMBL4764148

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
COc1cc(C2=NCCN=C2c2cc3ccccc3s2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4764148
Phase Preclinical
Structure Type MOL
InChI Key HQBDLBXSEMQRMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
4.22
ALogP
6
HBA
0
HBD
52.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O3S
MW 380.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
33618157 10.1016/j.ejmech.2021.113275 MES-SA/Dx5 1
33618157 10.1016/j.ejmech.2021.113275 RL 1
33618157 10.1016/j.ejmech.2021.113275 A2780 1
33618157 10.1016/j.ejmech.2021.113275 MIA PaCa-2 1

Data from ChEMBL 36 via Core Engine