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

CHEMBL5565890

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
N#Cc1ccc(CNC(=O)c2ncc3nc(N4CC[C@H](C(N)=O)C4)ccc3c2O)cn1

Basic Information

ChEMBL ID CHEMBL5565890
Phase Preclinical
Structure Type MOL
InChI Key XMCIAZOXXWMQPU-ZDUSSCGKSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
0.84
ALogP
8
HBA
3
HBD
158.1
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 C21H19N7O3
MW 417.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.61

Activity Summary

EC50 1 meas. best 5.22
IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
IC50 8.7 8.7 2.0 1
Unchecked
CHEMBL612545
EC50 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38189253 10.1021/acs.jmedchem.3c01932 ADMET 2
38189253 10.1021/acs.jmedchem.3c01932 Egl nine homolog 1 1
38189253 10.1021/acs.jmedchem.3c01932 Unchecked 1
38189253 10.1021/acs.jmedchem.3c01932 No relevant target 1

Data from ChEMBL 36 via Core Engine