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

CHEMBL4203183

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
CN1CCN(c2nc(-c3ccccc3)c(C(=O)c3cnc4ccccn34)s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4203183
Phase Preclinical
Structure Type MOL
InChI Key PXQCBDWYZXPCFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.44
ALogP
7
HBA
0
HBD
53.7
PSA (Ų)
0.49
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 C22H21N5OS
MW 403.51
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
29138027 10.1016/j.bmcl.2017.10.060 Unchecked 2
29138027 10.1016/j.bmcl.2017.10.060 HeLa 1
29138027 10.1016/j.bmcl.2017.10.060 A549 1
29138027 10.1016/j.bmcl.2017.10.060 U-87 MG 1
29138027 10.1016/j.bmcl.2017.10.060 Peritoneal macrophage 1

Data from ChEMBL 36 via Core Engine