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

CHEMBL5567289

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(C#N)ccc1CNC(=O)c1ncc2nc(N3CCOCC3)ccc2c1O

Basic Information

ChEMBL ID CHEMBL5567289
Phase Preclinical
Structure Type MOL
InChI Key BQEPLYUDUHHZME-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
2.28
ALogP
7
HBA
2
HBD
111.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O3
MW 403.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 9.0 nM 8.05 Inhibition of PHD2 (unknown origin) preincubated for 30 mins followed by substra... 38189253

Literature References

PubMed DOI Target Context # Activities
38189253 10.1021/acs.jmedchem.3c01932 Egl nine homolog 1 1

Data from ChEMBL 36 via Core Engine