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

CHEMBL4170051

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
CN1CCC(c2ccc(Nc3nc4ccccc4nc3C(=O)O)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170051
Phase Preclinical
Structure Type MOL
InChI Key MEDXDZGINQLITK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.88
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.73
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 C21H22N4O2
MW 362.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
29778892 10.1016/j.ejmech.2018.04.056 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine