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

CHEMBL4857598

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
CCC1(C)C(=O)c2cc3nccc(Nc4ccc5scnc5c4)c3cc2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4857598
Phase Preclinical
Structure Type MOL
InChI Key ZJFSUGSQLLTERZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
4.73
ALogP
7
HBA
1
HBD
89.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O3S2
MW 423.52
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
33730678 10.1016/j.ejmech.2021.113327 HT-29 1

Data from ChEMBL 36 via Core Engine