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

CHEMBL5433541

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
COc1ccc(-c2cnc(C(=O)NCC(=O)NO)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5433541
Phase Preclinical
Structure Type MOL
InChI Key MKCJLOMABZHMKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
0.59
ALogP
6
HBA
3
HBD
113.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O5
MW 291.26
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
36215854 10.1016/j.ejmech.2022.114705 Histone deacetylase 1 1
36215854 10.1016/j.ejmech.2022.114705 Histone deacetylase 6 1
36215854 10.1016/j.ejmech.2022.114705 A549 1

Data from ChEMBL 36 via Core Engine