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

CHEMBL5562672

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
COc1cnc(N2CCN(C(=O)C(C)n3cc4cccc(C(N)=O)c4n3)CC2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5562672
Phase Preclinical
Structure Type MOL
InChI Key GBNPYRSIICOWEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
0.84
ALogP
8
HBA
1
HBD
119.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N7O3
MW 409.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
38059836 10.1021/acs.jmedchem.3c01764 Protein mono-ADP-ribosyltransferase TIPARP 2

Data from ChEMBL 36 via Core Engine