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

CHEMBL4576786

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)c2c(nc3n2CCCN3Cc2cc(F)c(F)c(F)c2)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4576786
Phase Preclinical
Structure Type MOL
InChI Key MUHRBGXNPOMMBL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

379.3
MW (Da)
1.26
ALogP
7
HBA
0
HBD
65.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F3N5O2
MW 379.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
30808606 10.1016/j.bmc.2019.02.004 Amine oxidase [flavin-containing] A 2
30808606 10.1016/j.bmc.2019.02.004 Amine oxidase [flavin-containing] B 2
30808606 10.1016/j.bmc.2019.02.004 Adenosine receptor A1 1
30808606 10.1016/j.bmc.2019.02.004 Adenosine receptor A2a 1
30808606 10.1016/j.bmc.2019.02.004 Adenosine receptor A2b 1
30808606 10.1016/j.bmc.2019.02.004 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine