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

CHEMBL3330143

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)CCNc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330143
Phase Preclinical
Structure Type MOL
InChI Key KCOMLANBYLKECE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.11
ALogP
6
HBA
3
HBD
99.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O3S
MW 368.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
25042558 10.1016/j.bmc.2014.06.044 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine