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

CHEMBL5647589

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
O=C(Nc1cc(-c2ccnc(N3CCC(O)CC3)c2)ccn1)c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5647589
Phase Preclinical
Structure Type MOL
InChI Key KGVSPNDZZLQUGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

408.9
MW (Da)
4.01
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21ClN4O2
MW 408.89
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
37837671 10.1016/j.ejmech.2023.115858 MDA-MB-231 1
37837671 10.1016/j.ejmech.2023.115858 L02 1
37837671 10.1016/j.ejmech.2023.115858 A549 1
37837671 10.1016/j.ejmech.2023.115858 HeLa 1

Data from ChEMBL 36 via Core Engine