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

CHEMBL4460436

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
O=C(c1cnn2c(C3CCNCC3)cc(=O)[nH]c12)C1CC1

Basic Information

ChEMBL ID CHEMBL4460436
Phase Preclinical
Structure Type MOL
InChI Key CCIASDKSHIIWPW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
1.08
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N4O2
MW 286.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.91

Activity Summary

IC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tissue-type plasminogen activator
CHEMBL1873
IC50 8.1 8.1 8.0 1
Plasma
CHEMBL613424
IC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31658420 10.1021/acs.jmedchem.9b01060 Plasma 1

Data from ChEMBL 36 via Core Engine