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

CHEMBL2171650

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
COc1ccc(C2=NN(C(C)C)C(=O)C2(C)C)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171650
Phase Preclinical
Structure Type MOL
InChI Key DDSCXWUBRPNWLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.8
MW (Da)
3.33
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19ClN2O2
MW 294.78
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
22963052 10.1021/jm301059b MRC5 1
22963052 10.1021/jm301059b Trypanosoma brucei brucei 1
22963052 10.1021/jm301059b Class 1 phosphodiesterase PDEB1 1

Data from ChEMBL 36 via Core Engine