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

CHEMBL5182439

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(C(=O)c2nc(N3CCCC3)nc3ccsc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5182439
Phase Preclinical
Structure Type MOL
InChI Key UCJKJTJBXHXARY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.53
ALogP
6
HBA
0
HBD
55.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O2S
MW 339.42
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
35635956 10.1016/j.ejmech.2022.114466 HL-60 1
35635956 10.1016/j.ejmech.2022.114466 HCT-116 1
35635956 10.1016/j.ejmech.2022.114466 A549 1
35635956 10.1016/j.ejmech.2022.114466 HeLa 1

Data from ChEMBL 36 via Core Engine