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

CHEMBL4454606

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
CCCCOc1ccc(-c2cccc(C#N)c2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4454606
Phase Preclinical
Structure Type MOL
InChI Key HBHBOLPZXMWVDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.19
ALogP
4
HBA
0
HBD
58.8
PSA (Ų)
0.77
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 C15H15N3O
MW 253.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
30655216 10.1016/j.bmcl.2018.12.050 Huh-7 1
30655216 10.1016/j.bmcl.2018.12.050 Caco-2 1
30655216 10.1016/j.bmcl.2018.12.050 MDA-MB-231 1
30655216 10.1016/j.bmcl.2018.12.050 HCT-116 1
30655216 10.1016/j.bmcl.2018.12.050 PC-3 1
30655216 10.1016/j.bmcl.2018.12.050 NCI-H727 1
30655216 10.1016/j.bmcl.2018.12.050 HaCaT 1
30655216 10.1016/j.bmcl.2018.12.050 Fibroblast 1

Data from ChEMBL 36 via Core Engine