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

CHEMBL5079352

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
C=CC(=O)NCCCCC(=O)N1CC(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5079352
Phase Preclinical
Structure Type MOL
InChI Key XPAUWNMVKWLNAJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

562.1
MW (Da)
4.38
ALogP
7
HBA
4
HBD
128.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32ClN7O3
MW 562.07
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
34757216 10.1016/j.bmcl.2021.128433 HeLa 1
34757216 10.1016/j.bmcl.2021.128433 HCT-116 1
34757216 10.1016/j.bmcl.2021.128433 MDA-MB-231 1
34757216 10.1016/j.bmcl.2021.128433 Focal adhesion kinase 1 1

Data from ChEMBL 36 via Core Engine