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

CHEMBL5564092

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
COc1ccccc1-c1cnccc1C(=O)Nc1ncc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5564092
Phase Preclinical
Structure Type MOL
InChI Key WTCBERHGQFMCOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

675.8
MW (Da)
5.39
ALogP
9
HBA
2
HBD
133.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H30FN7O4S
MW 675.75
Aromatic Rings 6
Heavy Atoms 49
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
38375763 10.1021/acs.jmedchem.3c02096 DNA polymerase theta 1
38375763 10.1021/acs.jmedchem.3c02096 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine