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

CHEMBL4795565

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
CC[C@@H](C)[C@@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4795565
Phase Preclinical
Structure Type MOL
InChI Key SXJTVJZGQSYORQ-IYSWYEEDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
-0.48
ALogP
7
HBA
4
HBD
163.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N6O4
MW 320.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.44

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27666634 10.1016/j.bmcl.2016.09.033 Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine