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

CHEMBL4277454

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
COc1ccc2[nH]c(=O)c(-c3nc4cc(C)c(C)cc4[nH]3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4277454
Phase Preclinical
Structure Type MOL
InChI Key HAVFFLLRAIEYMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.70
ALogP
3
HBA
2
HBD
70.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O2
MW 319.36
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
30092368 10.1016/j.ejmech.2018.07.066 HepG2 1
30092368 10.1016/j.ejmech.2018.07.066 SK-OV-3 1
30092368 10.1016/j.ejmech.2018.07.066 NCI-H460 1
30092368 10.1016/j.ejmech.2018.07.066 BEL-7404 tumor cell line 1
30092368 10.1016/j.ejmech.2018.07.066 L02 1

Data from ChEMBL 36 via Core Engine