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

CHEMBL3121729

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
Cn1c(=O)c2[nH]c(Cc3ccc(OCCCCl)cc3)nc2n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3121729
Phase Preclinical
Structure Type MOL
InChI Key HODQAQNPTXQBAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

362.8
MW (Da)
1.56
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19ClN4O3
MW 362.82
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
24556147 10.1016/j.ejmech.2014.01.045 Cavia porcellus 3
24556147 10.1016/j.ejmech.2014.01.045 Adenosine receptor A3 1
24556147 10.1016/j.ejmech.2014.01.045 Adenosine receptor A1 1
24556147 10.1016/j.ejmech.2014.01.045 Adenosine receptor A2b 1
24556147 10.1016/j.ejmech.2014.01.045 Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine