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

CHEMBL5579749

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(-n2cncc2-c2ccccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5579749
Phase Preclinical
Structure Type MOL
InChI Key VCRSATCPLDSOPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.25
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O2
MW 266.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
38788300 10.1016/j.ejmech.2024.116505 Heat shock protein HSP 90-alpha 1
38788300 10.1016/j.ejmech.2024.116505 Unchecked 1
38788300 10.1016/j.ejmech.2024.116505 Heat shock protein HSP 90-beta 1

Data from ChEMBL 36 via Core Engine