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

CHEMBL5563477

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
Cc1cc(=O)oc2cc(NCc3cc([N+](=O)[O-])ccc3O)ccc12

Basic Information

ChEMBL ID CHEMBL5563477
Phase Preclinical
Structure Type MOL
InChI Key RSZPULDHRBNFNT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
3.33
ALogP
6
HBA
2
HBD
105.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O5
MW 326.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.95

Activity Summary

Kd 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Albumin
CHEMBL3253
Kd 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Albumin Kd = 30.0 nM 7.52 Reversible binding affinity to human serum albumin 38340509

Literature References

PubMed DOI Target Context # Activities
38340509 10.1016/j.ejmech.2024.116179 Albumin 1

Data from ChEMBL 36 via Core Engine