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

CHEMBL300514

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
CCO/C(O)=C1\C(COCCn2cc(N)nc2O)=NC(C)=C(C(=O)OC)C1c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300514
Phase Preclinical
Structure Type MOL
InChI Key WMYWIQOLAREHHE-LSDHQDQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

490.9
MW (Da)
3.33
ALogP
10
HBA
3
HBD
141.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27ClN4O6
MW 490.94
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 7.5 7.5 31.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 31.62 nM 7.5 Concentration required to block Ca+2-induced contraction of K+ depolarized rat a... 2342074

Literature References

PubMed DOI Target Context # Activities
2342074 10.1021/jm00168a041 Rattus norvegicus 1
2342074 10.1021/jm00168a041 Cavia porcellus 1
2342074 10.1021/jm00168a041 Unchecked 1

Data from ChEMBL 36 via Core Engine